data_1wjw_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 1wjw _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 ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 11.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.424 HG23 ' CD2' ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' GLU . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' PHE . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' PHE . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' HG21 ' A' ' 72' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 59' ' ' ALA . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG21 ' CG2' ' A' ' 20' ' ' VAL . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 96' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 34.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' PHE . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HB1' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE2' HD12 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 89' ' ' VAL . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.504 HD12 ' CE2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 72' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 99' ' ' GLY . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 96' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 72' ' ' VAL . 1.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' GLU . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 97' ' ' ALA . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 97' ' ' ALA . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.453 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 96' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 97' ' ' ALA . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 96' ' ' LEU . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' PHE . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' VAL . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' NE ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD23 ' NE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 ' CG2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.445 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' ILE . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.403 ' OG ' ' CD2' ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.449 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 3.4 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.55 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' ALA . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 86' ' ' ALA . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 87' ' ' TYR . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HG ' ' CE1' ' A' ' 87' ' ' TYR . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' ALA . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 20' ' ' VAL . 21.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 54' ' ' TYR . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE1' HD22 ' A' ' 50' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLU . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.428 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 96' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' LEU . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.528 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.507 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLN . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -177.48 156.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -148.74 154.73 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -141.06 6.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -176.09 165.01 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.76 129.11 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.58 110.89 2.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.44 -174.81 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 mm -76.21 148.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.5 p90 -136.54 42.38 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.51 122.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.91 96.57 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt -44.85 158.72 0.28 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m -43.52 140.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.15 -34.49 77.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 174.44 -163.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.9 176.78 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 -166.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t 72.24 -66.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mt -50.84 146.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -71.31 -58.57 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.1 m -79.73 53.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.0 m -157.99 44.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -149.46 173.34 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.73 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -152.01 53.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -143.62 162.96 34.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 65.21 96.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 62.67 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 p -50.95 128.23 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 2.4 p -91.9 157.66 41.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.98 144.79 82.06 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.053 -0.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 102.22 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 133.7 -55.23 0.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 96' ' ' LEU . 18.3 tp -39.85 -64.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 11.6 pt20 -45.15 -37.54 4.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 m -156.51 147.59 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.97 116.15 13.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.3 Cg_endo -74.98 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' PRO . 8.0 t -38.73 149.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 98.84 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m 61.51 14.11 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -161.44 -173.23 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -128.29 25.94 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.1 mt -128.13 149.72 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.01 147.24 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CE2' ' HD3' ' A' ' 103' ' ' ARG . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' CD2' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.56 -149.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.62 -148.18 46.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 105.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HD3' ' CE2' ' A' ' 94' ' ' PHE . 1.3 mtt85 -82.24 156.71 68.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.7 20.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -102.37 152.27 38.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.27 17.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -52.15 -56.47 14.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 119.81 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 p -142.17 120.45 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.6 p -147.13 141.98 26.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -176.75 166.76 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.0 163.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.65 -170.27 33.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.76 152.41 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.47 156.0 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 142.62 3.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.72 138.7 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -51.33 169.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -148.75 44.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.4 122.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.71 101.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt -43.66 153.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.96 -167.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.35 -44.02 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -124.48 103.42 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.52 109.41 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.79 50.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -165.24 136.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -144.74 113.54 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -99.34 -23.86 15.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m 56.15 70.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.5 153.25 26.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -175.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.5 149.11 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.23 58.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 42.19 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.03 81.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' CG1' ' OE1' ' A' ' 44' ' ' GLN . 9.9 p -40.38 135.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 21.9 p -78.97 155.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.0 145.56 84.25 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.015 -0.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 93.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.67 -60.05 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' GLY . 13.1 tp -39.44 -50.64 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 -64.43 -50.72 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.424 HG23 ' CD2' ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -149.99 138.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.02 117.96 3.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 141.65 49.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.88 -89.98 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.416 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 1.2 t -51.18 -43.31 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 66' ' ' THR . 1.5 mp0 -78.24 171.48 14.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.36 178.63 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.68 148.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -102.98 135.59 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' GLU . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' PHE . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 148.57 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.39 -135.34 25.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.87 161.76 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -164.63 160.53 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.58 19.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -96.27 152.51 38.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 110.367 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.1 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.8 -157.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.06 -75.84 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.79 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t 71.76 -62.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 134.38 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -162.47 170.49 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -141.14 169.85 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.64 -151.29 10.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -163.57 169.19 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -122.85 170.07 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 -159.18 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 128.42 52.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.47 122.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.7 t80 -142.31 88.87 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 63.74 121.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.0 t0 -117.59 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 9.9 mt -90.74 154.29 45.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -81.26 -170.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.35 -55.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 70.9 -60.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 58.13 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.22 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.7 125.12 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 tp -74.64 138.13 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.66 164.38 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m 58.8 65.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -74.86 159.78 31.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.1 164.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.65 126.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.41 83.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -159.13 137.63 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 4.8 mt-30 -157.86 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 36' ' ' GLN . . . 79.56 65.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.06 93.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.505 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 3.5 p -44.43 157.19 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.6 Cg_endo -74.96 144.44 80.98 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.009 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.88 73.44 0.95 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 0.0 111.057 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 7.5 tp -73.5 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 -59.22 -44.65 92.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.08 130.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -153.32 120.88 3.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.32 21.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -103.89 16.05 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . . . 36.95 56.73 1.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -99.06 -18.79 17.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.87 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 8.6 mt -124.57 142.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.79 145.65 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' GLU . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' PHE . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt -117.5 138.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.98 -139.82 14.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.95 153.78 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -90.82 153.74 45.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.74 20.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -99.34 149.88 36.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.08 9.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 152.98 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.88 103.19 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.9 m 61.76 139.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 107.91 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.116 . . . . 0.0 111.066 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -112.75 162.56 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -128.44 158.8 37.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 60.66 169.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -87.58 86.14 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.86 -103.02 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.49 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.9 pt -54.54 143.26 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.1 p90 -139.17 43.09 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.73 121.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -145.49 21.55 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.63 157.69 0.17 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' HG21 ' A' ' 72' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 m -116.68 -163.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -127.4 -49.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 55.16 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -118.14 125.6 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -42.57 106.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.08 131.18 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.4 tp -92.24 113.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER 81.68 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -159.77 -72.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.8 m -107.85 115.74 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.72 95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 177.38 120.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.6 81.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -177.57 156.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 3.0 tt0 79.94 163.29 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.35 129.03 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -40.31 120.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.9 p -89.86 154.68 47.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 146.26 86.12 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.014 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 94.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.19 -55.84 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 96' ' ' LEU . 19.1 tp -44.04 -65.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 -50.28 -30.65 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 59' ' ' ALA . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -152.99 144.92 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -140.99 118.23 7.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.08 -6.22 17.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' PRO . 42.0 t -39.05 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.93 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -56.32 -24.23 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.74 167.13 2.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt 73.31 145.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.5 153.36 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG21 ' CG2' ' A' ' 20' ' ' VAL . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.54 ' CD1' ' HG2' ' A' ' 103' ' ' ARG . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 43' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 6.0 pt -114.21 168.89 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 60.06 -137.63 49.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.61 147.21 27.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.54 ' HG2' ' CD1' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -62.16 155.86 62.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -74.99 141.46 26.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' OE1' ' CE1' ' A' ' 87' ' ' TYR . 0.9 OUTLIER 55.34 164.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.62 38.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -106.1 95.83 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.78 127.33 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.21 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.7 m -62.03 143.66 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.57 159.64 34.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.3 -61.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -42.86 152.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.81 -147.96 6.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.3 168.34 25.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -130.17 165.54 22.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 85.26 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.33 171.93 13.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -47.26 120.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -142.28 88.24 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.57 121.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -148.06 98.79 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 34.2 mt -52.06 148.14 11.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -74.72 -164.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.69 -46.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 54.06 86.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -71.6 93.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.7 122.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -97.94 119.72 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 tt -159.27 159.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m 39.72 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -118.53 122.55 42.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -173.16 146.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -127.13 110.07 12.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.98 -61.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.13 150.43 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -105.01 -60.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -75.52 103.49 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.63 161.23 40.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -55.73 -172.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.508 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 2.7 p -65.24 157.5 76.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 144.59 81.44 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.02 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 119.59 5.72 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.77 55.59 26.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 9.6 tp -51.18 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -57.8 -33.54 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.64 145.85 29.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 114.17 2.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.75 -174.8 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.57 -68.58 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -43.39 -33.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.407 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -176.11 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -114.0 24.47 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.5 mt -80.64 161.35 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.16 118.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.498 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 91' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' PHE . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.66 138.94 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.49 -128.63 35.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -46.93 153.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.65 160.73 29.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.67 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -115.35 155.8 46.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 18.5 Cg_endo -74.94 159.54 41.44 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 101.0 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.32 168.91 33.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.78 38.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -56.29 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -147.3 -57.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.07 166.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -146.62 147.46 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 133.01 8.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.45 89.37 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.44 82.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 172.13 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.21 138.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 11.1 t80 -141.08 88.88 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.19 122.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -156.83 101.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.73 145.51 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -83.35 -163.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -127.8 -46.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.58 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.2 ttt180 76.55 99.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 63.81 119.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.54 129.82 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 tt -175.72 122.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.24 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.6 m 54.02 90.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 p -143.27 139.28 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.78 93.59 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.5 150.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -143.13 86.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 87.84 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 73.31 -69.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.49 159.65 41.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.83 151.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 2.5 p -47.52 157.52 0.56 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.1 Cg_endo -75.05 144.71 81.75 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.989 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.36 -50.15 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -40.64 -56.6 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 -57.37 -50.58 72.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HB1' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE2' HD12 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.43 135.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -143.92 116.13 5.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.01 -6.7 18.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -38.86 141.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.05 103.3 1.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.2 p -43.59 -42.11 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -62.8 172.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -88.63 51.14 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 19.0 mt -126.03 146.82 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.4 138.19 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 89' ' ' VAL . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.504 HD12 ' CE2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 72' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 103' ' ' ARG . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 96' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.33 165.42 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.88 -132.64 11.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.7 99.54 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -39.0 156.01 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.35 28.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 154.82 73.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 99.82 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.43 154.44 20.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.85 161.43 4.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.74 6.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.84 162.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 t -176.89 153.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -148.8 142.26 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -131.33 99.78 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.48 -80.57 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -67.54 85.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -123.98 79.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.88 179.45 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.12 95.82 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 96.0 mt -142.63 152.01 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ILE . 10.9 t80 47.58 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.79 122.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 107.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.74 145.29 22.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.0 m -100.11 -168.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' CG2' ' A' ' 100' ' ' ILE . . . -118.55 -61.83 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 177.71 152.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 50.17 78.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -46.94 76.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 p -134.85 117.19 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -41.51 122.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -178.45 110.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t -89.39 12.1 17.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -114.16 147.05 39.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -47.59 159.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.61 138.88 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.8 168.69 25.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 155.16 40.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 57.89 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.24 146.52 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.98 -72.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 11.4 p -135.39 156.67 77.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 141.06 70.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.031 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.0 Cg_endo -75.05 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.82 9.94 19.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 12.6 tp -57.43 -62.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -29.44 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 72' ' ' VAL . 1.3 m -156.76 132.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 116.66 4.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.04 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t -39.07 130.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.55 -87.1 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER 177.93 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER 168.28 119.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER 162.55 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.84 154.12 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t -74.48 132.89 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' GLU . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 97' ' ' ALA . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 43' ' ' LEU . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 ' CG2' ' HB1' ' A' ' 23' ' ' ALA . 1.4 pt -133.8 160.58 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.09 -156.28 35.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -88.69 142.87 27.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.534 ' HG3' ' CE2' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.49 152.09 57.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.2 Cg_endo -75.0 136.79 20.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.7 mt-30 58.87 152.81 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.52 128.9 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.17 -148.05 19.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 106.13 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 119.87 39.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -93.43 -57.14 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.73 -58.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -174.76 165.54 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.66 95.48 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -168.16 129.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 165.52 33.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.76 106.86 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.99 154.52 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.11 123.58 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -138.82 42.39 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -179.01 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.83 114.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt -46.12 154.78 0.58 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.04 -159.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.06 -55.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.0 112.22 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.99 161.84 17.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -105.28 113.16 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.27 147.98 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.9 mt 64.26 144.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -60.42 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m 63.49 139.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m 59.28 83.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.0 146.47 52.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.08 114.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -118.32 149.61 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -174.2 -53.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.39 179.87 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 134.82 56.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.49 -169.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.517 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 45.1 p -89.71 154.46 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.03 141.32 71.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.99 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 91.76 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 148.38 -53.04 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 96' ' ' LEU . 18.6 tp -44.94 -43.17 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.3 -34.27 72.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.97 144.81 34.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.08 117.94 3.09 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.97 102.34 7.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.37 108.09 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.94 -32.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 -175.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 12.8 mt 74.72 151.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -134.99 142.03 41.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 87' ' ' TYR . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 96' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 97' ' ' ALA . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.533 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 pt -108.55 150.63 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.94 -146.3 18.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ARG . 28.9 mt-10 -128.04 51.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HG3' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER 60.97 131.4 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.0 23.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -113.31 152.7 45.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.96 153.05 41.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.9 t -82.42 81.08 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.16 176.21 26.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.52 164.53 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.91 -58.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.85 108.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.95 148.44 23.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.83 -174.72 46.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.53 161.46 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 0.807 . . . . 0.0 110.02 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 164.74 38.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.97 -148.23 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.69 169.92 10.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 pt -68.33 -177.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 33.1 p90 -139.65 47.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.0 111.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.88 106.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.45 143.5 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' CG ' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 m -67.43 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -124.06 -56.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.32 117.31 8.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -86.13 119.37 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 68.87 165.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -51.34 123.69 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.8 mp -44.84 122.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.2 m 55.75 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.052 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m -74.04 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -81.86 56.94 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.57 152.22 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.3 176.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -144.6 76.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 62.79 174.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.18 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . -170.49 150.73 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ALA . 33.0 m -40.45 -44.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.526 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 6.5 p -149.84 156.77 38.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 144.99 82.7 Favored 'Cis proline' 0 C--N 1.359 1.132 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.974 0.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.25 61.75 5.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.46 -63.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.04 -33.09 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 m -157.09 146.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.29 120.03 3.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.8 43.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -93.12 -161.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.93 -56.22 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -73.12 -46.14 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.89 173.38 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -115.76 65.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG22 ' CG ' ' A' ' 19' ' ' LYS . 82.0 mt -129.34 152.91 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.413 ' N ' HG23 ' A' ' 69' ' ' ILE . 16.3 t -108.32 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.534 ' CE1' ' HG2' ' A' ' 103' ' ' ARG . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 96' ' ' LEU . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 9.9 pt -117.66 144.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.52 -149.51 17.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.88 135.8 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.534 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 22.0 mtm180 -89.35 154.4 48.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 152.49 40.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -111.05 162.37 21.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 87' ' ' TYR . 18.4 Cg_endo -75.03 139.31 24.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.831 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 p -105.59 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.65 148.37 6.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.9 11.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.31 120.36 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -85.9 137.92 32.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.04 168.3 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.97 169.75 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.1 -179.83 27.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.87 158.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.41 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 139.0 18.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.51 -177.3 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -61.84 145.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 13.3 t80 -133.81 85.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.36 122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -170.44 106.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt -49.28 139.23 14.02 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.02 -162.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.64 -48.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.18 156.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -126.77 -72.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.37 139.61 45.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 30' ' ' THR . 7.9 p -128.75 107.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.41 -39.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.91 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.443 HG23 ' CG2' ' A' ' 27' ' ' VAL . 25.9 p -146.76 116.15 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.13 -36.51 6.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.99 97.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.16 156.68 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.21 70.87 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -174.56 168.45 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 6.1 mt-30 66.2 -72.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . . . 78.8 120.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' THR . 9.9 p -146.03 172.26 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.528 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 15.5 p -38.48 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.98 140.19 65.97 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.039 -0.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 144.75 -56.72 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 96' ' ' LEU . 18.3 tp -38.63 -49.03 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -62.33 -49.81 74.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.61 144.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 114.28 5.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -6.46 18.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.46 125.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.75 105.18 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.02 -47.34 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.8 -175.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.53 57.71 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 22.0 mt -125.93 148.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.92 125.93 71.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' PHE . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt -132.96 139.45 49.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.01 -131.23 10.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -113.26 145.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 6.1 mtp180 -62.14 150.67 83.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.85 27.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -109.7 155.23 41.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.803 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.66 108.35 0.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 153.26 41.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 116.32 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.59 141.18 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 134.34 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -161.79 161.85 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 148.97 18.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -167.46 104.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 135.2 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -175.75 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.91 138.46 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.14 144.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -136.82 86.96 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.52 122.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -128.76 92.22 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.58 150.63 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -98.04 -169.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.53 -52.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -152.74 148.43 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -52.63 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.58 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 3.5 p -94.95 14.69 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.43 129.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.08 106.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -110.19 122.5 47.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -110.21 4.83 21.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.21 128.26 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -158.64 151.55 22.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 68.42 -70.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -52.65 103.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.85 146.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.05 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -80.8 159.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.537 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 34.5 p -129.89 154.53 81.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 145.91 85.2 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.98 -2.509 . . . . 0.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 127.99 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 104.69 -45.24 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 40' ' ' PRO . 24.4 tp -39.88 -59.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 -52.06 -52.53 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.98 129.89 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -133.29 117.91 14.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 125.16 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.46 34.42 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.71 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -144.08 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.91 166.66 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 27.2 mt 71.3 149.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -89.81 132.43 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' ' HG2' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 pt -149.24 152.77 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.5 -162.41 23.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.25 124.86 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' PHE . 2.7 mtm180 -78.21 154.15 79.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.01 160.51 40.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.67 148.42 5.23 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 t -71.56 92.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.7 153.71 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.67 36.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.8 104.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.0 p -174.23 154.87 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -177.82 123.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -81.29 -59.54 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 141.09 4.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.58 98.87 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.16 85.81 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 -165.14 12.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.88 129.08 39.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -51.91 138.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 10.8 t80 -144.26 91.48 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.2 122.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.66 100.3 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt -41.21 154.47 0.23 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m -84.77 -165.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.31 -52.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.89 111.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -134.42 93.56 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -122.78 156.41 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.34 -59.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 tt -137.44 149.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.66 115.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m -130.44 -60.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 m -78.18 155.13 30.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.44 164.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.11 122.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -150.49 160.08 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.51 96.58 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 178.67 173.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.88 110.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 p -70.11 160.41 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.508 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 3.0 p -102.38 157.33 33.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 144.63 81.57 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.015 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.1 Cg_endo -74.99 97.74 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.52 -55.44 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' CD1' ' HG ' ' A' ' 96' ' ' LEU . 15.8 tp -39.07 -48.95 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 -62.14 -48.23 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 148.38 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -153.27 114.1 2.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.42 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t 60.08 162.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.08 105.93 2.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m 62.05 67.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 78.79 -72.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.33 94.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 5.7 mm -134.52 144.91 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.85 98.32 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE2' ' CG ' ' A' ' 103' ' ' ARG . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 pt -151.47 138.33 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.04 -178.43 35.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.18 156.22 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' CG ' ' CE2' ' A' ' 94' ' ' PHE . 5.3 mtp180 -111.02 148.68 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.02 136.8 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.1 mt-30 57.77 156.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 155.61 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.81 -63.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.86 175.83 3.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.05 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.45 -57.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.89 91.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -156.76 143.95 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -156.81 151.05 25.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.79 -169.03 35.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -110.22 -59.24 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.76 147.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.88 139.7 14.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.63 151.88 37.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.07 147.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.6 t80 -141.25 87.23 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.28 122.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.16 106.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.43 151.37 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' NE ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD23 ' NE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m -92.9 -164.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HB1' ' CG2' ' A' ' 100' ' ' ILE . . . -129.1 -51.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.46 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -141.99 -51.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 70.59 -60.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t 59.37 156.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.43 118.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -61.62 166.39 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -82.72 54.62 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m 48.14 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.96 169.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.81 133.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.64 163.03 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 36' ' ' GLN . 1.6 ptt180 -78.23 -44.41 25.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 35' ' ' ARG . 2.6 tt0 39.61 83.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 173.18 -174.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t 62.95 157.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 1.9 p -46.46 157.58 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.02 145.41 83.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.05 0.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.16 92.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 40' ' ' PRO . 2.5 tp -87.56 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? -51.97 -49.61 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 ' CG2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 ' CG2' ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 m -151.72 146.71 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -149.01 114.21 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 p -67.64 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.23 -79.9 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -90.51 30.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.75 175.22 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -122.45 64.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 179.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.7 t -140.01 99.43 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.445 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 ' CG2' ' HB1' ' A' ' 23' ' ' ALA . 39.7 pt -104.67 143.75 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.76 -135.5 12.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -99.72 129.36 45.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -79.43 155.05 76.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -54.17 143.81 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.29 5.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 t 45.07 78.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.1 99.83 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.53 6.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -62.77 -66.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.86 94.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.23 -58.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.08 161.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.14 148.45 10.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.79 169.25 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 163.33 13.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.42 144.36 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 179.24 177.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.7 mt -43.45 153.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 11.0 t80 -145.62 90.33 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.22 122.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.22 103.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.9 145.87 21.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HG2' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.58 -178.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -121.9 -48.26 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.31 110.31 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.61 107.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.74 155.62 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t 60.54 83.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 tt -51.55 162.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 t -164.19 147.18 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m -90.79 143.7 26.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.7 t -114.12 143.17 45.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.97 -56.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.47 76.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.06 170.17 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.24 98.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.44 110.71 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 126.87 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.3 p -166.77 171.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.511 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 3.3 p -52.0 157.21 2.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.04 144.81 82.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.959 0.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.29 -42.79 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' CD1' HD13 ' A' ' 96' ' ' LEU . 19.4 tp -41.42 -64.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 -48.53 -51.98 24.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' ILE . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m -146.34 150.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -151.79 114.71 2.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t 39.0 89.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.89 -109.37 2.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.45 -51.65 10.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -132.85 -52.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -174.93 36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CG2' ' HG2' ' A' ' 19' ' ' LYS . 14.8 mt -95.11 146.19 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' N ' HG23 ' A' ' 69' ' ' ILE . 43.5 t -89.1 96.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB3' ' CA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' GLU . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.403 ' OG ' ' CD2' ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 11.3 pt -139.75 141.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.47 -144.02 22.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.4 161.41 14.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -125.7 155.37 72.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.77 23.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.776 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.22 151.36 74.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.95 21.48 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.1 m -116.07 170.56 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.13 162.06 19.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.51 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.8 p -122.24 159.65 26.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -153.21 119.74 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -159.63 164.24 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.27 124.88 2.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.9 165.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -172.8 164.54 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 89.29 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.25 126.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -108.58 151.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.6 p90 -144.97 74.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.8 112.32 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.99 92.77 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt -44.47 148.12 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m -74.86 -174.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.08 -44.87 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.79 146.09 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -135.06 -54.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 59.71 96.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -47.43 166.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -141.66 125.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.75 120.33 11.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.13 162.85 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -170.11 156.6 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.78 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.5 108.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -53.34 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.69 118.46 26.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER 65.2 153.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -91.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 t -146.96 -51.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.515 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 6.7 p -136.31 157.06 76.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 142.28 74.28 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.059 -2.476 . . . . 0.0 111.031 -0.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.05 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.14 -50.93 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 96' ' ' LEU . 17.1 tp -39.25 -64.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -48.28 -50.51 29.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -144.18 139.34 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 -152.83 119.16 2.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.74 3.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 t -178.42 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.72 -73.06 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.62 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.37 -87.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.66 14.46 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -81.2 150.53 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.34 153.07 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.449 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.1 pt -99.36 151.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.74 -149.97 19.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.25 155.15 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 9.7 mtp180 -74.31 151.5 87.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.72 19.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.49 156.25 76.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 166.96 28.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 p -91.55 -49.03 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -179.72 105.82 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.11 27.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 t -92.44 -63.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -167.14 169.38 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -170.94 172.56 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 70.74 -60.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.95 -162.54 42.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 60.29 153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.744 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 -47.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.85 -177.84 9.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.33 157.96 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -69.97 149.65 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.9 44.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.3 121.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.83 -144.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -71.9 134.22 83.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 3.4 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.18 -174.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.54 -44.96 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 48.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.98 92.26 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 6.6 p -103.96 134.45 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 pt -82.39 171.38 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 82.96 -67.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 t 42.87 37.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.79 165.29 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.47 174.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.17 81.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.52 108.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -104.66 -165.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -79.39 -5.56 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.21 123.61 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -63.88 123.56 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.518 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 4.4 p -73.49 157.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 144.21 80.23 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 0.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.425 ' HD3' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 141.36 -57.86 0.57 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 96' ' ' LEU . 13.4 tp -40.35 -60.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.25 -40.64 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLY . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.26 144.26 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.37 114.13 4.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.87 39.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -166.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.6 -55.87 10.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 HG22 ' CG ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -125.22 -70.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.387 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -160.2 110.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -179.21 90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.6 mt 73.39 148.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.73 115.76 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.55 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 97' ' ' ALA . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pt -139.88 151.66 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.36 -131.74 34.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.65 132.11 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -152.93 160.48 30.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.28 20.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.41 151.96 79.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -75.16 128.81 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.81 120.76 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.36 24.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.78 143.36 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.9 159.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.57 162.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -127.32 157.49 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 107.68 3.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.56 130.83 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -80.35 89.74 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.55 66.55 3.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.33 12.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.69 168.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.98 45.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.31 119.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.3 106.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.35 152.0 0.9 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m -59.6 -165.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -120.35 -60.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER 76.19 -59.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 36.82 -155.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.98 143.77 56.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.99 -49.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 tp -162.52 -52.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER 165.97 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER 81.28 151.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -175.25 128.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.27 166.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 1.4 tt0 -153.75 -56.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 22.6 ptt180 44.02 -166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 39.4 67.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.17 137.44 51.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 59.1 t -109.47 -68.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.532 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 57.9 p -38.45 154.5 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 140.94 70.14 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.032 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 61.61 5.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . -172.17 -60.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLY . 22.3 tp -39.65 -64.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -43.35 38.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m -149.02 150.59 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HB3' ' NE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -152.73 118.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -177.75 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.064 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.94 -103.32 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -58.01 -53.12 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -39.76 -48.95 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.04 48.86 10.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 9.7 mt -120.89 148.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.62 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 86' ' ' ALA . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 87' ' ' TYR . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HG ' ' CE1' ' A' ' 87' ' ' TYR . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' ALA . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 14.3 pt -107.32 129.09 61.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.95 -130.61 3.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.61 168.59 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.743 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -102.49 158.18 32.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.0 156.69 43.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -86.03 151.87 55.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.06 148.61 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.14 -169.04 28.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.86 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.7 p -176.47 130.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 168.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.94 170.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.32 169.24 9.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.65 -157.21 13.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.87 170.55 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 163.65 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.96 -131.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ILE . . . -89.04 115.36 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' ALA . 13.0 mt 59.96 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.5 p90 -142.78 43.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.9 121.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -150.37 98.74 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt -49.7 140.82 14.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 20' ' ' VAL . 21.3 m -113.92 -163.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.23 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 147.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -160.0 125.02 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.24 -53.23 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mm -64.88 141.23 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.14 156.44 34.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 m -120.82 77.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -166.64 57.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.29 163.14 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -57.43 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.27 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -161.17 157.38 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 87.42 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.24 92.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 27.9 p -91.48 154.82 44.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 146.2 86.03 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.994 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.46 59.05 10.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 14.8 tp -52.83 -57.24 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 -53.05 -54.72 31.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 54' ' ' TYR . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE1' HD22 ' A' ' 50' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.85 134.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.31 119.24 3.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.33 11.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 t -98.06 40.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.81 -58.87 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.45 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.06 -155.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 60.2 -175.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.29 155.81 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -103.79 157.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 91' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' GLU . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' A' ' 104' ' ' PRO . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.1 pt -119.05 146.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.33 -140.77 24.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -97.71 153.93 17.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' HG3' ' CD1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -60.73 150.59 75.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 94' ' ' PHE . 18.2 Cg_endo -75.05 139.61 24.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.79 157.3 34.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 18.2 Cg_endo -75.02 -172.54 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -179.03 171.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.86 23.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.52 105.02 16.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.9 p -102.56 -57.62 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 108.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.0 127.95 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 120.82 6.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -176.22 117.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -117.96 149.52 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.36 103.55 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.62 129.35 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.85 173.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.9 t80 -136.31 87.06 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.24 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.19 101.83 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt -47.46 136.81 9.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.22 -171.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.18 -56.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -159.32 120.43 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.43 121.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 175.85 124.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.77 12.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 pt -85.43 133.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.45 -80.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.8 m -137.86 -51.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m 62.42 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.9 m-20 51.63 86.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.29 88.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -128.55 -57.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 136.28 4.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 83.29 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.74 135.19 10.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 p -110.15 142.7 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.519 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 18.3 p -124.99 155.59 70.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 145.86 85.1 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.03 -0.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 78.38 2.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 171.11 -52.67 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HG ' ' A' ' 96' ' ' LEU . 14.4 tp -44.5 -51.63 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -62.05 -33.44 74.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 m -154.44 137.06 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.83 114.0 3.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t 62.82 96.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.84 -104.51 0.96 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -117.36 -7.97 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.52 -87.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.17 27.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.01 147.49 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.29 132.11 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 96' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' LEU . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.528 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.507 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.528 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 pt -98.35 163.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.83 -129.86 9.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 5.8 pt-20 -117.29 104.14 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.317 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -40.8 156.29 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.24 40.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -41.18 143.87 0.74 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 m 52.89 174.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.58 -165.76 27.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 148.19 34.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 t -173.32 145.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -172.76 126.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -177.68 117.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.051 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 158.61 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 149.17 5.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.03 113.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.98 142.79 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.99 137.07 9.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.28 127.38 53.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.19 160.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 8.0 t80 -154.5 95.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.68 122.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 -143.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.62 134.93 90.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 m -86.8 -165.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.23 -53.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 49.99 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -113.56 115.11 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 58.24 82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.67 73.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -126.33 148.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.63 77.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.7 p -64.68 168.05 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -41.56 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.89 160.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.05 92.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -43.79 156.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.76 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.7 -61.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 73.46 -78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.27 -46.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.535 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 1.4 p -152.76 154.17 31.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.02 146.86 87.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.006 0.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.22 3.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.57 95.68 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' A' ' 96' ' ' LEU . 2.7 tp -97.28 -65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -29.13 64.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 m -156.02 137.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.58 123.78 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.58 158.02 40.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.08 -83.57 0.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -50.49 -50.98 51.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.66 152.3 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -110.3 34.6 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.72 150.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.62 104.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLN . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 pt -129.94 156.71 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.25 -165.54 54.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 150.39 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 157.02 61.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.45 33.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -133.73 152.87 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.554 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.98 85.36 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.41 155.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.29 155.91 21.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.7 t -163.35 59.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t 63.94 83.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD13 ' OG ' ' A' ' 90' ' ' SER . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 11.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.453 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 61' ' ' VAL . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 61' ' ' VAL . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 86' ' ' ALA . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.497 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 89' ' ' VAL . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 92' ' ' LEU . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.803 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 72' ' ' VAL . 2.8 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.803 HD22 ' HB1' ' A' ' 57' ' ' ALA . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 89' ' ' VAL . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 22' ' ' VAL . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 85' ' ' LEU . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.611 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 55' ' ' THR . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 93' ' ' VAL . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 22' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.6 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 57' ' ' ALA . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 93' ' ' VAL . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 89' ' ' VAL . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 55' ' ' THR . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 57' ' ' ALA . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 93' ' ' VAL . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.4 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HE2' ' A' ' 53' ' ' LYS . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' HD23 ' A' ' 50' ' ' LEU . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD13 ' CD2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 50' ' ' LEU . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 99' ' ' GLY . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 96' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 12.5 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG11 ' HB ' ' A' ' 93' ' ' VAL . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 20' ' ' VAL . 17.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' VAL . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 47' ' ' ILE . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' VAL . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.746 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.487 ' OG ' HD12 ' A' ' 91' ' ' LEU . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' OG ' ' A' ' 90' ' ' SER . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.768 ' O ' HG13 ' A' ' 22' ' ' VAL . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 70' ' ' VAL . 8.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.8 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 77' ' ' ASN . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.6 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' HG11 ' A' ' 22' ' ' VAL . 16.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 55' ' ' THR . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 93' ' ' VAL . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 92' ' ' LEU . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 89' ' ' VAL . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 22' ' ' VAL . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 20' ' ' VAL . 2.5 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 78' ' ' SER . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.492 ' OG ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' VAL . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 22' ' ' VAL . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 20' ' ' VAL . 15.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 59' ' ' ALA . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 47' ' ' ILE . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 54' ' ' TYR . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.423 ' O ' HD12 ' A' ' 91' ' ' LEU . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' VAL . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 59' ' ' ALA . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 47' ' ' ILE . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 93' ' ' VAL . 4.0 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 70' ' ' VAL . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.095 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.095 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' LEU . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.577 ' OG ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 70' ' ' VAL . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' HG23 ' A' ' 100' ' ' ILE . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 99' ' ' GLY . 7.4 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD11 ' HE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.748 ' CE2' HD13 ' A' ' 85' ' ' LEU . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.75 HG23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 60' ' ' PHE . 4.3 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 10.7 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 70' ' ' VAL . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD13 ' CE2' ' A' ' 54' ' ' TYR . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.922 ' HA ' HD23 ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 96' ' ' LEU . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD22 ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.87 HD23 ' OG ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 85' ' ' LEU . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.425 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HG23 ' A' ' 55' ' ' THR . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 90' ' ' SER . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.411 ' HB3' HG22 ' A' ' 55' ' ' THR . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 57' ' ' ALA . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.662 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 93' ' ' VAL . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.87 ' OG ' HD23 ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.755 HD22 ' N ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 55' ' ' THR . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' HB1' ' A' ' 57' ' ' ALA . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.676 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' NE2' ' CZ ' ' A' ' 73' ' ' TYR . 10.5 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 92' ' ' LEU . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG13 ' C ' ' A' ' 57' ' ' ALA . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.693 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.708 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.574 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' TYR . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.489 ' CZ ' ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 76' ' ' ALA . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 93' ' ' VAL . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 89' ' ' VAL . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 47' ' ' ILE . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 74' ' ' ALA . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' ARG . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' VAL . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' HG ' ' CE1' ' A' ' 87' ' ' TYR . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 96' ' ' LEU . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 20' ' ' VAL . 21.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CD2' HD13 ' A' ' 85' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 90' ' ' SER . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.2 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 93' ' ' VAL . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.798 ' CG ' HD22 ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.798 HD22 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.631 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 90' ' ' SER . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 47' ' ' ILE . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' A' ' 90' ' ' SER . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.625 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.643 ' N ' HD23 ' A' ' 92' ' ' LEU . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.462 HD12 ' C ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -177.48 156.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -148.74 154.73 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -141.06 6.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -176.09 165.01 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.76 129.11 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.58 110.89 2.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.44 -174.81 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 11' ' ' VAL . 41.5 mm -76.21 148.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.5 p90 -136.54 42.38 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.51 122.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.91 96.57 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt -44.85 158.72 0.28 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD13 ' OG ' ' A' ' 90' ' ' SER . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m -43.52 140.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB2' HG12 ' A' ' 100' ' ' ILE . . . -67.15 -34.49 77.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 174.44 -163.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.9 176.78 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 -166.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t 72.24 -66.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mt -50.84 146.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -71.31 -58.57 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.1 m -79.73 53.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 31' ' ' THR . 18.0 m -157.99 44.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -149.46 173.34 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.73 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -152.01 53.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -143.62 162.96 34.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 65.21 96.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 62.67 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG13 ' OE1' ' A' ' 44' ' ' GLN . 1.5 p -50.95 128.23 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.849 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.4 p -91.9 157.66 41.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.98 144.79 82.06 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.053 -0.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.849 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 102.22 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 133.7 -55.23 0.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD13 HD22 ' A' ' 96' ' ' LEU . 18.3 tp -39.85 -64.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' OE1' HG13 ' A' ' 38' ' ' VAL . 11.6 pt20 -45.15 -37.54 4.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' A' ' 43' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 61' ' ' VAL . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.0 m -156.51 147.59 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.97 116.15 13.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.3 Cg_endo -74.98 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' PRO . 8.0 t -38.73 149.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 98.84 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m 61.51 14.11 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -161.44 -173.23 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -128.29 25.94 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 21' ' ' LYS . 52.1 mt -128.13 149.72 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.01 147.24 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 61' ' ' VAL . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 86' ' ' ALA . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.497 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 89' ' ' VAL . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CE2' ' HD3' ' A' ' 103' ' ' ARG . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.704 HD22 HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.852 HG12 ' HB2' ' A' ' 23' ' ' ALA . 1.3 pt -133.56 -149.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.62 -148.18 46.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 105.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 94' ' ' PHE . 1.3 mtt85 -82.24 156.71 68.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.7 20.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -102.37 152.27 38.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.27 17.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -52.15 -56.47 14.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 119.81 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 p -142.17 120.45 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.6 p -147.13 141.98 26.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -176.75 166.76 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.0 163.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.65 -170.27 33.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.76 152.41 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.47 156.0 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 142.62 3.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.72 138.7 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -51.33 169.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -148.75 44.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.4 122.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.71 101.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt -43.66 153.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.96 -167.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.35 -44.02 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -124.48 103.42 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.52 109.41 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 27' ' ' VAL . 7.6 p -159.79 50.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -165.24 136.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -144.74 113.54 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -99.34 -23.86 15.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 31' ' ' THR . 3.3 m 56.15 70.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.5 153.25 26.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -175.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.5 149.11 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.23 58.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 42.19 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.03 81.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' CG1' ' OE1' ' A' ' 44' ' ' GLN . 9.9 p -40.38 135.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 21.9 p -78.97 155.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.0 145.56 84.25 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.015 -0.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -74.97 93.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.67 -60.05 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD12 HD13 ' A' ' 96' ' ' LEU . 13.1 tp -39.44 -50.64 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 -64.43 -50.72 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 43' ' ' LEU . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 92' ' ' LEU . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.803 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 72' ' ' VAL . 2.8 m -149.99 138.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.02 117.96 3.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 141.65 49.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.88 -89.98 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.416 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 1.2 t -51.18 -43.31 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 66' ' ' THR . 1.5 mp0 -78.24 171.48 14.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.36 178.63 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.68 148.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -102.98 135.59 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.803 HD22 ' HB1' ' A' ' 57' ' ' ALA . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 89' ' ' VAL . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.677 HD13 HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 148.57 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.39 -135.34 25.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.87 161.76 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -164.63 160.53 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.58 19.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -96.27 152.51 38.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 110.367 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.1 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.8 -157.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.06 -75.84 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.79 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t 71.76 -62.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 134.38 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -162.47 170.49 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -141.14 169.85 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.64 -151.29 10.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -163.57 169.19 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -122.85 170.07 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 -159.18 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 128.42 52.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.47 122.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.7 t80 -142.31 88.87 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 63.74 121.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.0 t0 -117.59 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 9.9 mt -90.74 154.29 45.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 22' ' ' VAL . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 m -81.26 -170.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -121.35 -55.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 70.9 -60.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 58.13 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.22 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.7 125.12 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 tp -74.64 138.13 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.66 164.38 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m 58.8 65.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -74.86 159.78 31.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.1 164.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.65 126.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.41 83.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -159.13 137.63 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 mt-30 -157.86 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 79.56 65.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.06 93.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.794 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.5 p -44.43 157.19 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.778 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 144.44 80.98 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.009 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.794 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.88 73.44 0.95 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 0.0 111.057 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' CG ' ' A' ' 40' ' ' PRO . 7.5 tp -73.5 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 -59.22 -44.65 92.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 85' ' ' LEU . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.611 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 55' ' ' THR . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.08 130.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -153.32 120.88 3.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.32 21.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -103.89 16.05 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . . . 36.95 56.73 1.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -99.06 -18.79 17.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.87 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.471 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 8.6 mt -124.57 142.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.79 145.65 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 93' ' ' VAL . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.635 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 36.7 pt -117.5 138.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.98 -139.82 14.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.95 153.78 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -90.82 153.74 45.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.74 20.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -99.34 149.88 36.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.08 9.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 152.98 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.88 103.19 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.9 m 61.76 139.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 107.91 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.116 . . . . 0.0 111.066 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -112.75 162.56 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -128.44 158.8 37.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 60.66 169.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -87.58 86.14 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.86 -103.02 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.49 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.9 pt -54.54 143.26 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.1 p90 -139.17 43.09 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.73 121.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -145.49 21.55 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.63 157.69 0.17 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 22' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.6 m -116.68 -163.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.4 -49.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 55.16 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -118.14 125.6 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -42.57 106.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.08 131.18 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.4 tp -92.24 113.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER 81.68 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -159.77 -72.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.8 m -107.85 115.74 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER 169.72 95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 177.38 120.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.6 81.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -177.57 156.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 3.0 tt0 79.94 163.29 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.35 129.03 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -40.31 120.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.9 p -89.86 154.68 47.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 146.26 86.12 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.014 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -75.05 94.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.19 -55.84 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.977 HD13 ' HG ' ' A' ' 96' ' ' LEU . 19.1 tp -44.04 -65.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 -50.28 -30.65 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.8 m -152.99 144.92 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -140.99 118.23 7.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.08 -6.22 17.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' PRO . 42.0 t -39.05 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.93 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -56.32 -24.23 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.74 167.13 2.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt 73.31 145.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.5 153.36 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 57' ' ' ALA . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 93' ' ' VAL . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 89' ' ' VAL . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 103' ' ' ARG . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.977 ' HG ' HD13 ' A' ' 43' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.809 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.0 pt -114.21 168.89 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 60.06 -137.63 49.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.61 147.21 27.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.541 ' HG2' ' CD1' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -62.16 155.86 62.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -74.99 141.46 26.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' OE1' ' CE1' ' A' ' 87' ' ' TYR . 0.9 OUTLIER 55.34 164.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.62 38.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -106.1 95.83 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.78 127.33 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.21 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.7 m -62.03 143.66 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.57 159.64 34.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.3 -61.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -42.86 152.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.81 -147.96 6.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.3 168.34 25.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -130.17 165.54 22.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 85.26 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.33 171.93 13.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -47.26 120.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -142.28 88.24 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.57 121.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -148.06 98.79 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -52.06 148.14 11.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -74.72 -164.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 100' ' ' ILE . . . -128.69 -46.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 54.06 86.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -71.6 93.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.7 122.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -97.94 119.72 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 tt -159.27 159.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m 39.72 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -118.53 122.55 42.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -173.16 146.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -127.13 110.07 12.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.98 -61.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.13 150.43 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -105.01 -60.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -75.52 103.49 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.63 161.23 40.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -55.73 -172.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.816 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.7 p -65.24 157.5 76.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 144.59 81.44 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.02 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.816 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 119.59 5.72 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.77 55.59 26.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.936 ' CD1' HD22 ' A' ' 96' ' ' LEU . 9.6 tp -51.18 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -57.8 -33.54 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 55' ' ' THR . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.64 145.85 29.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 114.17 2.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.75 -174.8 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.57 -68.58 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -43.39 -33.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.407 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -176.11 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -114.0 24.47 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 70' ' ' VAL . 20.5 mt -80.64 161.35 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 69' ' ' ILE . 35.9 t -118.16 118.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 57' ' ' ALA . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 93' ' ' VAL . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 23' ' ' ALA . 1.2 pt -136.66 138.94 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.49 -128.63 35.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -46.93 153.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.65 160.73 29.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.67 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -115.35 155.8 46.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 18.5 Cg_endo -74.94 159.54 41.44 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 101.0 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.32 168.91 33.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.78 38.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -56.29 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -147.3 -57.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.07 166.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -146.62 147.46 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 133.01 8.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.45 89.37 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.44 82.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 172.13 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.21 138.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 11.1 t80 -141.08 88.88 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.19 122.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -156.83 101.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.4 mt -52.73 145.51 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -83.35 -163.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.8 -46.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.58 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.2 ttt180 76.55 99.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 63.81 119.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.54 129.82 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 tt -175.72 122.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.24 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.6 m 54.02 90.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 p -143.27 139.28 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.78 93.59 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.5 150.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -143.13 86.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 87.84 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 73.31 -69.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.49 159.65 41.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.83 151.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.85 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.5 p -47.52 157.52 0.56 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.1 Cg_endo -75.05 144.71 81.75 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.989 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.85 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.36 -50.15 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' CD1' HD22 ' A' ' 96' ' ' LEU . 12.6 tp -40.64 -56.6 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 -57.37 -50.58 72.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HE2' ' A' ' 53' ' ' LYS . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' HD23 ' A' ' 50' ' ' LEU . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.43 135.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -143.92 116.13 5.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.01 -6.7 18.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -38.86 141.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.05 103.3 1.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 66' ' ' THR . 65.2 p -43.59 -42.11 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -62.8 172.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -88.63 51.14 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 19.0 mt -126.03 146.82 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 t -105.4 138.19 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.595 HD13 ' CD2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 50' ' ' LEU . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 103' ' ' ARG . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 43' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.514 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -126.33 165.42 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.88 -132.64 11.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.7 99.54 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -39.0 156.01 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.35 28.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 154.82 73.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 99.82 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.43 154.44 20.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.85 161.43 4.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.74 6.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.84 162.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 t -176.89 153.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -148.8 142.26 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -131.33 99.78 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.48 -80.57 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -67.54 85.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -123.98 79.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.88 179.45 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.12 95.82 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 96.0 mt -142.63 152.01 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ILE . 10.9 t80 47.58 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.79 122.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 107.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 12.5 mt -52.74 145.29 22.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 69' ' ' ILE . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG11 ' HB ' ' A' ' 93' ' ' VAL . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.739 ' HA ' HG23 ' A' ' 69' ' ' ILE . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 20' ' ' VAL . 17.0 m -100.11 -168.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -118.55 -61.83 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 177.71 152.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 50.17 78.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -46.94 76.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.1 p -134.85 117.19 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.51 122.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.45 110.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t -89.39 12.1 17.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -114.16 147.05 39.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -47.59 159.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.61 138.88 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.8 168.69 25.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 155.16 40.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 57.89 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.24 146.52 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HG23 ' A' ' 39' ' ' THR . 58.3 t -54.98 -72.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.744 HG22 ' HD3' ' A' ' 41' ' ' PRO . 11.4 p -135.39 156.67 77.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.948 ' HD2' HD22 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.02 141.06 70.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.031 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.744 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.0 Cg_endo -75.05 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.82 9.94 19.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.948 HD22 ' HD2' ' A' ' 40' ' ' PRO . 12.6 tp -57.43 -62.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -29.44 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' VAL . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 47' ' ' ILE . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' VAL . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.3 m -156.76 132.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 116.66 4.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.04 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t -39.07 130.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.55 -87.1 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER 177.93 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER 168.28 119.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER 162.55 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' LYS . 2.8 mp -64.84 154.12 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t -74.48 132.89 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.746 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.487 ' OG ' HD12 ' A' ' 91' ' ' LEU . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' OG ' ' A' ' 90' ' ' SER . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 43' ' ' LEU . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.4 pt -133.8 160.58 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.09 -156.28 35.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -88.69 142.87 27.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.534 ' HG3' ' CE2' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.49 152.09 57.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.2 Cg_endo -75.0 136.79 20.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.7 mt-30 58.87 152.81 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.52 128.9 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.17 -148.05 19.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 106.13 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 119.87 39.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -93.43 -57.14 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.73 -58.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -174.76 165.54 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.66 95.48 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -168.16 129.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 165.52 33.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.76 106.86 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.99 154.52 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.11 123.58 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -138.82 42.39 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -179.01 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.83 114.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt -46.12 154.78 0.58 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.768 ' O ' HG13 ' A' ' 22' ' ' VAL . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.6 m -112.04 -159.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -138.06 -55.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.0 112.22 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.99 161.84 17.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -105.28 113.16 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.27 147.98 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.9 mt 64.26 144.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -60.42 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m 63.49 139.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m 59.28 83.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.0 146.47 52.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.08 114.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -118.32 149.61 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -174.2 -53.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.39 179.87 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 134.82 56.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.49 -169.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 45.1 p -89.71 154.46 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.03 141.32 71.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.99 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.1 Cg_endo -75.07 91.76 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 148.38 -53.04 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD13 HD12 ' A' ' 96' ' ' LEU . 18.6 tp -44.94 -43.17 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.3 -34.27 72.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.97 144.81 34.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.08 117.94 3.09 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.97 102.34 7.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.37 108.09 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.94 -32.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 -175.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 12.8 mt 74.72 151.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -134.99 142.03 41.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.533 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD12 HD13 ' A' ' 43' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 23' ' ' ALA . 20.8 pt -108.55 150.63 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.94 -146.3 18.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ARG . 28.9 mt-10 -128.04 51.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HG3' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER 60.97 131.4 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.0 23.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -113.31 152.7 45.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.96 153.05 41.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.9 t -82.42 81.08 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.16 176.21 26.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.52 164.53 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.91 -58.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.85 108.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.95 148.44 23.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.83 -174.72 46.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.53 161.46 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 0.807 . . . . 0.0 110.02 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 164.74 38.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.97 -148.23 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.69 169.92 10.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 pt -68.33 -177.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 33.1 p90 -139.65 47.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.0 111.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.88 106.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.45 143.5 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CG ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 70' ' ' VAL . 8.9 m -67.43 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -124.06 -56.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.32 117.31 8.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -86.13 119.37 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 68.87 165.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -51.34 123.69 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 28' ' ' ILE . 4.8 mp -44.84 122.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.2 m 55.75 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.052 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m -74.04 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -81.86 56.94 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.57 152.22 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.3 176.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -144.6 76.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 62.79 174.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.18 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . -170.49 150.73 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' OG1' ' A' ' 39' ' ' THR . 33.0 m -40.45 -44.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.704 HG22 ' HD3' ' A' ' 41' ' ' PRO . 6.5 p -149.84 156.77 38.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.769 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 144.99 82.7 Favored 'Cis proline' 0 C--N 1.359 1.132 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.974 0.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.704 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.25 61.75 5.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.769 HD13 ' CG ' ' A' ' 40' ' ' PRO . 8.9 tp -51.46 -63.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.04 -33.09 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.8 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 77' ' ' ASN . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.596 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.6 m -157.09 146.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.29 120.03 3.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.8 43.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -93.12 -161.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.93 -56.22 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -73.12 -46.14 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.89 173.38 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -115.76 65.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.588 HG21 ' CG ' ' A' ' 19' ' ' LYS . 82.0 mt -129.34 152.91 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' HG11 ' A' ' 22' ' ' VAL . 16.3 t -108.32 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 55' ' ' THR . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 93' ' ' VAL . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 92' ' ' LEU . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 89' ' ' VAL . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.535 ' CE1' ' HG2' ' A' ' 103' ' ' ARG . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 40' ' ' PRO . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.75 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 9.9 pt -117.66 144.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.52 -149.51 17.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.88 135.8 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 22.0 mtm180 -89.35 154.4 48.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 152.49 40.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -111.05 162.37 21.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 87' ' ' TYR . 18.4 Cg_endo -75.03 139.31 24.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.831 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 p -105.59 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.65 148.37 6.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.9 11.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.31 120.36 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -85.9 137.92 32.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.04 168.3 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.97 169.75 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.1 -179.83 27.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.87 158.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.41 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 139.0 18.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.51 -177.3 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -61.84 145.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 13.3 t80 -133.81 85.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.36 122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -170.44 106.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt -49.28 139.23 14.02 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 22' ' ' VAL . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 23' ' ' ALA . 2.5 m -89.02 -162.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -131.64 -48.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.18 156.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -126.77 -72.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.37 139.61 45.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 27' ' ' VAL . 7.9 p -128.75 107.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.41 -39.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.91 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -146.76 116.15 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.13 -36.51 6.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.99 97.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.16 156.68 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.21 70.87 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -174.56 168.45 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 6.1 mt-30 66.2 -72.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 78.8 120.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 39' ' ' THR . 9.9 p -146.03 172.26 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.727 HG22 ' HD3' ' A' ' 41' ' ' PRO . 15.5 p -38.48 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.98 140.19 65.97 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.039 -0.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 144.75 -56.72 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.843 HD12 HD13 ' A' ' 96' ' ' LEU . 18.3 tp -38.63 -49.03 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -62.33 -49.81 74.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.61 144.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 114.28 5.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -6.46 18.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.46 125.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.75 105.18 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.02 -47.34 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.8 -175.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.53 57.71 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 22.0 mt -125.93 148.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.92 125.93 71.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 78' ' ' SER . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.492 ' OG ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.843 HD13 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt -132.96 139.45 49.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.01 -131.23 10.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -113.26 145.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 6.1 mtp180 -62.14 150.67 83.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.85 27.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -109.7 155.23 41.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.803 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.66 108.35 0.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 153.26 41.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 116.32 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.59 141.18 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 134.34 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -161.79 161.85 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 148.97 18.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -167.46 104.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 135.2 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -175.75 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.91 138.46 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.14 144.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -136.82 86.96 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.52 122.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -128.76 92.22 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 mt -50.58 150.63 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 22' ' ' VAL . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 20' ' ' VAL . 15.5 m -98.04 -169.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.53 -52.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -152.74 148.43 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -52.63 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.58 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 27' ' ' VAL . 3.5 p -94.95 14.69 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.43 129.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.08 106.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -110.19 122.5 47.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -110.21 4.83 21.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.21 128.26 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -158.64 151.55 22.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 68.42 -70.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -52.65 103.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.85 146.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.05 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -80.8 159.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 34.5 p -129.89 154.53 81.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.698 ' HG2' HD22 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 145.91 85.2 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.98 -2.509 . . . . 0.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 127.99 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 104.69 -45.24 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 40' ' ' PRO . 24.4 tp -39.88 -59.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 -52.06 -52.53 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 59' ' ' ALA . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 47' ' ' ILE . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -151.98 129.89 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -133.29 117.91 14.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 125.16 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.46 34.42 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.71 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -144.08 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.91 166.66 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 27.2 mt 71.3 149.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 63' ' ' PRO . 24.0 t -89.81 132.43 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 54' ' ' TYR . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' ' HG2' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' VAL . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.695 HG21 ' HB2' ' A' ' 23' ' ' ALA . 3.5 pt -149.24 152.77 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.5 -162.41 23.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.25 124.86 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' PHE . 2.7 mtm180 -78.21 154.15 79.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.01 160.51 40.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.67 148.42 5.23 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 t -71.56 92.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.7 153.71 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.67 36.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.8 104.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.0 p -174.23 154.87 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -177.82 123.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -81.29 -59.54 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 141.09 4.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.58 98.87 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.16 85.81 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 -165.14 12.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.88 129.08 39.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -51.91 138.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 10.8 t80 -144.26 91.48 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.2 122.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.66 100.3 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt -41.21 154.47 0.23 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m -84.77 -165.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.31 -52.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.89 111.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -134.42 93.56 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -122.78 156.41 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.34 -59.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 tt -137.44 149.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.66 115.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m -130.44 -60.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 m -78.18 155.13 30.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.44 164.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.11 122.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -150.49 160.08 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.51 96.58 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 178.67 173.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.88 110.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 p -70.11 160.41 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.797 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.0 p -102.38 157.33 33.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 144.63 81.57 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.015 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.797 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.1 Cg_endo -74.99 97.74 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.52 -55.44 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 96' ' ' LEU . 15.8 tp -39.07 -48.95 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 -62.14 -48.23 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 59' ' ' ALA . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 47' ' ' ILE . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 148.38 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -153.27 114.1 2.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.42 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t 60.08 162.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.08 105.93 2.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m 62.05 67.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 78.79 -72.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 69' ' ' ILE . 1.1 t0 -168.33 94.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 5.7 mm -134.52 144.91 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 93' ' ' VAL . 4.0 t -96.85 98.32 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 70' ' ' VAL . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.095 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.095 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' LEU . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.577 ' OG ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 70' ' ' VAL . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE2' ' CG ' ' A' ' 103' ' ' ARG . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' HG23 ' A' ' 100' ' ' ILE . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.4 pt -151.47 138.33 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.04 -178.43 35.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.18 156.22 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' CG ' ' CE2' ' A' ' 94' ' ' PHE . 5.3 mtp180 -111.02 148.68 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.02 136.8 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.1 mt-30 57.77 156.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 155.61 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.81 -63.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.86 175.83 3.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.05 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.45 -57.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.89 91.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -156.76 143.95 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -156.81 151.05 25.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.79 -169.03 35.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -110.22 -59.24 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.76 147.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.88 139.7 14.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.63 151.88 37.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.07 147.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.6 t80 -141.25 87.23 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.28 122.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.16 106.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.43 151.37 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD11 ' HE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m -92.9 -164.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.1 -51.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.46 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -141.99 -51.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 70.59 -60.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t 59.37 156.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.43 118.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -61.62 166.39 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.583 ' O ' HG22 ' A' ' 30' ' ' THR . 15.9 m -82.72 54.62 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m 48.14 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.96 169.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.81 133.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.64 163.03 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 36' ' ' GLN . 1.6 ptt180 -78.23 -44.41 25.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 2.6 tt0 39.61 83.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . 173.18 -174.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t 62.95 157.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.832 HG22 ' HD3' ' A' ' 41' ' ' PRO . 1.9 p -46.46 157.58 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.774 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.02 145.41 83.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.05 0.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.832 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.16 92.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD13 ' CG ' ' A' ' 40' ' ' PRO . 2.5 tp -87.56 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? -51.97 -49.61 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.748 ' CE2' HD13 ' A' ' 85' ' ' LEU . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.75 HG23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 60' ' ' PHE . 4.3 m -151.72 146.71 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -149.01 114.21 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 p -67.64 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.23 -79.9 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -90.51 30.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.75 175.22 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -122.45 64.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 179.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 10.7 t -140.01 99.43 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 70' ' ' VAL . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD13 ' CE2' ' A' ' 54' ' ' TYR . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.922 ' HA ' HD23 ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 96' ' ' LEU . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD22 ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.82 HG21 ' HB2' ' A' ' 23' ' ' ALA . 39.7 pt -104.67 143.75 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.76 -135.5 12.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -99.72 129.36 45.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -79.43 155.05 76.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -54.17 143.81 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.29 5.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 t 45.07 78.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.1 99.83 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.53 6.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -62.77 -66.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.86 94.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.23 -58.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.08 161.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.14 148.45 10.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.79 169.25 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 163.33 13.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -160.42 144.36 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 179.24 177.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.7 mt -43.45 153.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 11.0 t80 -145.62 90.33 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.22 122.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.22 103.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.9 145.87 21.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.87 HD23 ' OG ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.736 ' CG ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 ' HG3' ' A' ' 104' ' ' PRO . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.58 -178.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 100' ' ' ILE . . . -121.9 -48.26 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.31 110.31 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.61 107.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.74 155.62 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t 60.54 83.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 tt -51.55 162.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 t -164.19 147.18 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m -90.79 143.7 26.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.7 t -114.12 143.17 45.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.97 -56.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.47 76.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.06 170.17 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.24 98.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.44 110.71 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 126.87 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 39' ' ' THR . 8.3 p -166.77 171.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.3 p -52.0 157.21 2.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.04 144.81 82.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.959 0.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.775 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.29 -42.79 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.019 HD13 HD13 ' A' ' 96' ' ' LEU . 19.4 tp -41.42 -64.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 -48.53 -51.98 24.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 85' ' ' LEU . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.425 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HG23 ' A' ' 55' ' ' THR . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m -146.34 150.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -151.79 114.71 2.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t 39.0 89.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.89 -109.37 2.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.45 -51.65 10.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -132.85 -52.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -174.93 36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 19' ' ' LYS . 14.8 mt -95.11 146.19 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -89.1 96.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 90' ' ' SER . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.411 ' HB3' HG22 ' A' ' 55' ' ' THR . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 57' ' ' ALA . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.662 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 93' ' ' VAL . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.87 ' OG ' HD23 ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.019 HD13 HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 23' ' ' ALA . 11.3 pt -139.75 141.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.47 -144.02 22.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.4 161.41 14.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -125.7 155.37 72.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.448 ' HG3' HG22 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 138.77 23.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.776 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.22 151.36 74.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.95 21.48 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.1 m -116.07 170.56 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.13 162.06 19.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.51 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.8 p -122.24 159.65 26.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -153.21 119.74 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -159.63 164.24 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.27 124.88 2.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.9 165.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -172.8 164.54 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 89.29 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.25 126.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -108.58 151.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.6 p90 -144.97 74.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.8 112.32 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.99 92.77 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt -44.47 148.12 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m -74.86 -174.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -123.08 -44.87 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.79 146.09 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -135.06 -54.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 59.71 96.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -47.43 166.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -141.66 125.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.75 120.33 11.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.13 162.85 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -170.11 156.6 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.78 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.5 108.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -53.34 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.69 118.46 26.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER 65.2 153.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -91.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 t -146.96 -51.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.803 HG22 ' HD3' ' A' ' 41' ' ' PRO . 6.7 p -136.31 157.06 76.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 142.28 74.28 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.059 -2.476 . . . . 0.0 111.031 -0.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.803 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.05 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.14 -50.93 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD13 HD22 ' A' ' 96' ' ' LEU . 17.1 tp -39.25 -64.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -48.28 -50.51 29.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 55' ' ' THR . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -144.18 139.34 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 -152.83 119.16 2.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.74 3.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 t -178.42 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.72 -73.06 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.62 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.37 -87.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.66 14.46 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.413 HG21 ' CD ' ' A' ' 19' ' ' LYS . 28.4 mt -81.2 150.53 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.34 153.07 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' HB1' ' A' ' 57' ' ' ALA . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.837 HD22 HD13 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 23' ' ' ALA . 3.1 pt -99.36 151.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.74 -149.97 19.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.25 155.15 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 9.7 mtp180 -74.31 151.5 87.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.72 19.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.49 156.25 76.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 166.96 28.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 p -91.55 -49.03 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -179.72 105.82 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.11 27.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 t -92.44 -63.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -167.14 169.38 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -170.94 172.56 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 70.74 -60.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.95 -162.54 42.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 60.29 153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.744 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 -47.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.85 -177.84 9.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.33 157.96 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -69.97 149.65 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.9 44.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.3 121.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.83 -144.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -71.9 134.22 83.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.676 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' NE2' ' CZ ' ' A' ' 73' ' ' TYR . 10.5 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.18 -174.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -121.54 -44.96 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 48.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.98 92.26 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 6.6 p -103.96 134.45 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 pt -82.39 171.38 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 82.96 -67.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.434 HG22 ' C ' ' A' ' 29' ' ' SER . 4.5 t 42.87 37.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.79 165.29 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.47 174.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.17 81.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.52 108.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -104.66 -165.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -79.39 -5.56 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.21 123.61 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -63.88 123.56 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.745 HG22 ' HD3' ' A' ' 41' ' ' PRO . 4.4 p -73.49 157.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 144.21 80.23 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 0.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.745 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 141.36 -57.86 0.57 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.6 HD13 HD23 ' A' ' 96' ' ' LEU . 13.4 tp -40.35 -60.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.25 -40.64 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLY . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 ' HG ' ' A' ' 43' ' ' LEU . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG13 ' C ' ' A' ' 57' ' ' ALA . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.693 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.708 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.574 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' TYR . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.26 144.26 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.37 114.13 4.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.87 39.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -166.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.6 -55.87 10.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -125.22 -70.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.387 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -160.2 110.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -179.21 90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 19' ' ' LYS . 12.6 mt 73.39 148.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.73 115.76 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.489 ' CZ ' ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 76' ' ' ALA . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 93' ' ' VAL . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 89' ' ' VAL . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.612 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.8 pt -139.88 151.66 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.36 -131.74 34.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.65 132.11 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -152.93 160.48 30.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.28 20.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.41 151.96 79.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -75.16 128.81 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.81 120.76 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.36 24.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.78 143.36 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.9 159.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.57 162.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -127.32 157.49 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 107.68 3.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.56 130.83 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -80.35 89.74 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.55 66.55 3.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.33 12.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 10' ' ' TYR . 2.3 mp -95.69 168.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -113.98 45.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.31 119.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.3 106.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.35 152.0 0.9 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CD ' HG21 ' A' ' 69' ' ' ILE . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m -59.6 -165.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.818 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -120.35 -60.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER 76.19 -59.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 36.82 -155.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.98 143.77 56.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.99 -49.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 tp -162.52 -52.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 30' ' ' THR . 0.3 OUTLIER 165.97 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER 81.28 151.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -175.25 128.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.27 166.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 1.4 tt0 -153.75 -56.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 22.6 ptt180 44.02 -166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 39.4 67.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.17 137.44 51.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 59.1 t -109.47 -68.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 57.9 p -38.45 154.5 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 140.94 70.14 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.032 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -75.01 61.61 5.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . -172.17 -60.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 92' ' ' LEU . 22.3 tp -39.65 -64.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -43.35 38.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 47' ' ' ILE . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 74' ' ' ALA . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m -149.02 150.59 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB3' ' NE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -152.73 118.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -177.75 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.064 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.94 -103.32 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -58.01 -53.12 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -39.76 -48.95 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.04 48.86 10.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG21 ' CD ' ' A' ' 19' ' ' LYS . 9.7 mt -120.89 148.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.62 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' ARG . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' VAL . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.824 HD12 ' CG ' ' A' ' 104' ' ' PRO . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HB3' HD11 ' A' ' 43' ' ' LEU . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.818 HG21 ' HB2' ' A' ' 23' ' ' ALA . 14.3 pt -107.32 129.09 61.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.95 -130.61 3.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.61 168.59 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.743 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -102.49 158.18 32.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.824 ' CG ' HD12 ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.0 156.69 43.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -86.03 151.87 55.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.06 148.61 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.14 -169.04 28.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.86 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.7 p -176.47 130.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 168.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.94 170.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.32 169.24 9.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.65 -157.21 13.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.87 170.55 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 163.65 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.96 -131.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ILE . . . -89.04 115.36 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 11' ' ' VAL . 13.0 mt 59.96 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.5 p90 -142.78 43.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.9 121.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -150.37 98.74 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt -49.7 140.82 14.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 20' ' ' VAL . 21.3 m -113.92 -163.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.23 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 147.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -160.0 125.02 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.24 -53.23 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mm -64.88 141.23 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.14 156.44 34.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 30' ' ' THR . 4.5 m -120.82 77.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 31' ' ' THR . 5.0 t -166.64 57.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.29 163.14 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -57.43 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.27 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -161.17 157.38 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 87.42 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.24 92.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 27.9 p -91.48 154.82 44.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.837 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 146.2 86.03 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.994 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.46 59.05 10.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD13 ' CG ' ' A' ' 40' ' ' PRO . 14.8 tp -52.83 -57.24 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 -53.05 -54.72 31.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CD2' HD13 ' A' ' 85' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.85 134.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.31 119.24 3.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.33 11.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 t -98.06 40.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.81 -58.87 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.45 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.06 -155.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 60.2 -175.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.29 155.81 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -103.79 157.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 90' ' ' SER . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' A' ' 104' ' ' PRO . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 43' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.769 HG21 ' HB2' ' A' ' 23' ' ' ALA . 10.1 pt -119.05 146.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.33 -140.77 24.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -97.71 153.93 17.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' HG3' ' CD1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -60.73 150.59 75.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 94' ' ' PHE . 18.2 Cg_endo -75.05 139.61 24.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.79 157.3 34.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 18.2 Cg_endo -75.02 -172.54 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -179.03 171.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.86 23.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.52 105.02 16.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.9 p -102.56 -57.62 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 108.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.0 127.95 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 120.82 6.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -176.22 117.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -117.96 149.52 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.36 103.55 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.62 129.35 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.85 173.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.9 t80 -136.31 87.06 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.24 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.19 101.83 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt -47.46 136.81 9.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HD3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.22 -171.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.833 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -123.18 -56.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -159.32 120.43 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.43 121.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 175.85 124.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.77 12.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 pt -85.43 133.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.45 -80.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.8 m -137.86 -51.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m 62.42 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.9 m-20 51.63 86.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.29 88.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -128.55 -57.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 136.28 4.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 83.29 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.74 135.19 10.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 p -110.15 142.7 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 18.3 p -124.99 155.59 70.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 145.86 85.1 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.03 -0.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.1 Cg_endo -75.01 78.38 2.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 171.11 -52.67 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 ' HG ' ' A' ' 96' ' ' LEU . 14.4 tp -44.5 -51.63 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -62.05 -33.44 74.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.2 m -154.44 137.06 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.83 114.0 3.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t 62.82 96.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.84 -104.51 0.96 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -117.36 -7.97 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.52 -87.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.17 27.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.51 HG21 ' HD3' ' A' ' 19' ' ' LYS . 16.7 mt -86.01 147.49 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.29 132.11 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' C ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 93' ' ' VAL . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.798 ' CG ' HD22 ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.798 HD22 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.833 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 5.8 pt -98.35 163.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.83 -129.86 9.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 5.8 pt-20 -117.29 104.14 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.317 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -40.8 156.29 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.24 40.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 21.6 pt20 -41.18 143.87 0.74 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' GLN . 18.2 Cg_endo -74.99 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 m 52.89 174.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.58 -165.76 27.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 148.19 34.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 t -173.32 145.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -172.76 126.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -177.68 117.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.051 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 158.61 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 149.17 5.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.03 113.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.98 142.79 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.99 137.07 9.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.28 127.38 53.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.19 160.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 8.0 t80 -154.5 95.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.68 122.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 -143.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.62 134.93 90.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.631 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 90' ' ' SER . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 23' ' ' ALA . 2.6 m -86.8 -165.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.705 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.23 -53.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 49.99 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -113.56 115.11 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 58.24 82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 27' ' ' VAL . 75.4 t -117.67 73.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -126.33 148.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.63 77.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.7 p -64.68 168.05 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -41.56 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.89 160.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.05 92.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -43.79 156.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.76 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.541 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 74.7 -61.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 73.46 -78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 p -152.27 -46.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 41' ' ' PRO . 1.4 p -152.76 154.17 31.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.757 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -75.02 146.86 87.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.006 0.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 55.22 3.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.57 95.68 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 40' ' ' PRO . 2.7 tp -97.28 -65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -29.13 64.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 47' ' ' ILE . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.8 m -156.02 137.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.58 123.78 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.58 158.02 40.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.08 -83.57 0.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -50.49 -50.98 51.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.66 152.3 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -110.3 34.6 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.72 150.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.62 104.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' A' ' 90' ' ' SER . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.625 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.705 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.9 pt -129.94 156.71 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.25 -165.54 54.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 150.39 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 157.02 61.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.45 33.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -133.73 152.87 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.554 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.98 85.36 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.41 155.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.29 155.91 21.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.7 t -163.35 59.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t 63.94 83.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 HD13 ' OG ' ' A' ' 90' ' ' SER . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 11.6 pt20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.453 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 61' ' ' VAL . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 61' ' ' VAL . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 86' ' ' ALA . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.497 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 89' ' ' VAL . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 92' ' ' LEU . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.803 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 72' ' ' VAL . 2.8 m . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.803 HD22 ' HB1' ' A' ' 57' ' ' ALA . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 89' ' ' VAL . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 22' ' ' VAL . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 85' ' ' LEU . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.611 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 55' ' ' THR . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 93' ' ' VAL . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 22' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.6 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 57' ' ' ALA . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 93' ' ' VAL . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 89' ' ' VAL . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 34.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 55' ' ' THR . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 57' ' ' ALA . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 93' ' ' VAL . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.4 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HE2' ' A' ' 53' ' ' LYS . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' HD23 ' A' ' 50' ' ' LEU . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.595 HD13 ' CD2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 50' ' ' LEU . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 99' ' ' GLY . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 96' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 12.5 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG11 ' HB ' ' A' ' 93' ' ' VAL . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 20' ' ' VAL . 17.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' VAL . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 47' ' ' ILE . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' VAL . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.3 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.746 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.487 ' OG ' HD12 ' A' ' 91' ' ' LEU . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' OG ' ' A' ' 90' ' ' SER . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.768 ' O ' HG13 ' A' ' 22' ' ' VAL . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.6 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 92' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.8 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 70' ' ' VAL . 8.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.8 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 77' ' ' ASN . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.6 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' HG11 ' A' ' 22' ' ' VAL . 16.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 55' ' ' THR . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 93' ' ' VAL . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 92' ' ' LEU . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 89' ' ' VAL . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 96' ' ' LEU . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 22' ' ' VAL . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 20' ' ' VAL . 2.5 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 78' ' ' SER . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.492 ' OG ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' VAL . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 22' ' ' VAL . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 20' ' ' VAL . 15.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 59' ' ' ALA . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 47' ' ' ILE . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 54' ' ' TYR . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.423 ' O ' HD12 ' A' ' 91' ' ' LEU . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' VAL . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 59' ' ' ALA . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 47' ' ' ILE . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 93' ' ' VAL . 4.0 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 70' ' ' VAL . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.095 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.095 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' LEU . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.577 ' OG ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 70' ' ' VAL . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' HG23 ' A' ' 100' ' ' ILE . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 99' ' ' GLY . 7.4 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 HD11 ' HE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.748 ' CE2' HD13 ' A' ' 85' ' ' LEU . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.75 HG23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 60' ' ' PHE . 4.3 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 10.7 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 70' ' ' VAL . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD13 ' CE2' ' A' ' 54' ' ' TYR . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.922 ' HA ' HD23 ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 96' ' ' LEU . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD22 ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.87 HD23 ' OG ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 85' ' ' LEU . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.425 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HG23 ' A' ' 55' ' ' THR . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 90' ' ' SER . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.411 ' HB3' HG22 ' A' ' 55' ' ' THR . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 57' ' ' ALA . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.662 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 93' ' ' VAL . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.87 ' OG ' HD23 ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 55' ' ' THR . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' HB1' ' A' ' 57' ' ' ALA . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.676 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 3.4 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 92' ' ' LEU . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG13 ' C ' ' A' ' 57' ' ' ALA . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.693 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.708 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.574 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' TYR . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 76' ' ' ALA . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 93' ' ' VAL . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 89' ' ' VAL . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 47' ' ' ILE . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 74' ' ' ALA . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' ARG . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' VAL . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' HG ' ' CE1' ' A' ' 87' ' ' TYR . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 96' ' ' LEU . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.3 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 20' ' ' VAL . 21.3 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CD2' HD13 ' A' ' 85' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 90' ' ' SER . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.1 pt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.2 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 93' ' ' VAL . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.798 ' CG ' HD22 ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.798 HD22 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.631 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 90' ' ' SER . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 47' ' ' ILE . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' A' ' 90' ' ' SER . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.625 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.643 ' N ' HD23 ' A' ' 92' ' ' LEU . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.462 HD12 ' C ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -177.48 156.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -148.74 154.73 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.939 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -141.06 6.75 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -176.09 165.01 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.76 129.11 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.58 110.89 2.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.44 -174.81 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 11' ' ' VAL . 41.5 mm -76.21 148.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.5 p90 -136.54 42.38 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.51 122.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -138.91 96.57 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mt -44.85 158.72 0.28 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.72 38.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -158.64 160.54 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 133.17 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -116.74 158.49 23.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD13 ' OG ' ' A' ' 90' ' ' SER . 22.9 mt -147.59 172.17 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -143.62 122.26 12.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.7 t -108.38 99.68 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HE2' HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -66.77 74.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 6.7 m -43.52 140.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB2' HG12 ' A' ' 100' ' ' ILE . . . -67.15 -34.49 77.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 174.44 -163.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.9 176.78 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 -166.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t 72.24 -66.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mt -50.84 146.67 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -71.31 -58.57 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.1 m -79.73 53.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 31' ' ' THR . 18.0 m -157.99 44.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -149.46 173.34 13.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.73 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -152.01 53.19 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -143.62 162.96 34.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 65.21 96.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 62.67 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG13 ' OE1' ' A' ' 44' ' ' GLN . 1.5 p -50.95 128.23 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.849 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.4 p -91.9 157.66 41.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.98 144.79 82.06 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.053 -0.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.849 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 102.22 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 133.7 -55.23 0.75 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD13 HD22 ' A' ' 96' ' ' LEU . 18.3 tp -39.85 -64.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' OE1' HG13 ' A' ' 38' ' ' VAL . 11.6 pt20 -45.15 -37.54 4.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.9 mm-40 -73.38 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.17 -60.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' A' ' 43' ' ' LEU . 34.5 mt -56.11 -51.96 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-20 -44.38 -51.01 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -55.45 -38.78 69.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.0 mt -73.54 -31.69 63.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 47' ' ' ILE . 76.2 t -73.29 -24.53 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.72 -32.8 15.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -69.29 -16.01 63.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -102.96 171.16 7.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -94.38 115.57 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER 41.76 64.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -109.41 166.27 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 127.75 2.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.67 151.32 49.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 61' ' ' VAL . 38.2 m-85 -151.71 173.12 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.0 m -156.51 147.59 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.97 116.15 13.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.3 Cg_endo -74.98 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' PRO . 8.0 t -38.73 149.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.54 98.84 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m 61.51 14.11 5.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -161.44 -173.23 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -128.29 25.94 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.478 HD13 ' HE2' ' A' ' 21' ' ' LYS . 52.1 mt -128.13 149.72 33.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -86.01 147.24 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 136.65 47.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 61' ' ' VAL . 18.5 t -129.23 145.41 35.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 5.9 t80 -159.16 135.76 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB3' ' CA ' ' A' ' 86' ' ' ALA . . . -145.96 134.6 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -130.78 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -170.5 172.73 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -68.47 -28.7 67.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.9 147.76 36.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -58.29 -43.62 88.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -62.7 1.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -36.43 16.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.27 85.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.59 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.06 -62.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.7 tp -50.84 -54.86 20.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . . . -46.74 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.697 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -42.4 -47.35 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.9 mt-10 -58.52 -63.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 t -40.04 -64.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.497 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.7 p -40.22 -48.02 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -66.18 -50.58 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.42 -35.22 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 89' ' ' VAL . 3.0 t -76.71 -53.04 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CE2' ' HD3' ' A' ' 103' ' ' ARG . 5.6 t80 -37.67 -33.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.37 -56.37 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.704 HD22 HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -46.68 -58.58 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.74 27.42 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.44 36.29 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -61.87 143.5 48.67 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.852 HG12 ' HB2' ' A' ' 23' ' ' ALA . 1.3 pt -133.56 -149.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.62 -148.18 46.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.79 105.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.493 ' HD3' ' CE2' ' A' ' 94' ' ' PHE . 1.3 mtt85 -82.24 156.71 68.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.7 20.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -102.37 152.27 38.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.27 17.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -52.15 -56.47 14.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.78 119.81 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 98.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.4 p -142.17 120.45 12.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.6 p -147.13 141.98 26.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -176.75 166.76 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.974 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.0 163.01 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.019 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.65 -170.27 33.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.76 152.41 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.47 156.0 37.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 142.62 3.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.72 138.7 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -51.33 169.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.7 p90 -148.75 44.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.4 122.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.71 101.86 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mt -43.66 153.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.23 42.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.58 152.37 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -149.49 129.46 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 8.2 pt20 -125.43 145.71 49.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.32 162.27 34.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -115.64 120.47 39.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.25 119.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.77 115.87 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.96 -167.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.35 -44.02 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.224 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -124.48 103.42 8.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.52 109.41 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 27' ' ' VAL . 7.6 p -159.79 50.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -165.24 136.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -144.74 113.54 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.067 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -99.34 -23.86 15.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 31' ' ' THR . 3.3 m 56.15 70.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.5 153.25 26.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.68 -175.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.5 149.11 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.23 58.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pm0 42.19 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.03 81.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' CG1' ' OE1' ' A' ' 44' ' ' GLN . 9.9 p -40.38 135.3 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 21.9 p -78.97 155.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.0 145.56 84.25 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.015 -0.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -74.97 93.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.67 -60.05 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.677 HD12 HD13 ' A' ' 96' ' ' LEU . 13.1 tp -39.44 -50.64 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 21.9 tt0 -64.43 -50.72 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' ASP . 1.9 tm-20 -55.54 -61.47 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.41 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 43' ' ' LEU . 11.5 mt -51.75 -50.8 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.6 t30 -48.12 -33.4 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 t0 -73.25 -42.85 62.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 92' ' ' LEU . 7.2 mt -68.3 -40.63 81.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.1 -24.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -26.66 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -76.02 -23.61 55.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -97.5 175.24 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.451 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -102.49 126.2 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HG23 ' A' ' 55' ' ' THR . 2.1 mm? 43.04 47.99 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.803 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -96.48 164.52 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -167.38 129.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -130.54 142.84 50.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 5.9 m-85 -138.77 164.9 28.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG12 HG22 ' A' ' 72' ' ' VAL . 2.8 m -149.99 138.07 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.02 117.96 3.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.55 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.801 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 141.65 49.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.88 -89.98 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.439 1.087 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.416 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 1.2 t -51.18 -43.31 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' OE2' ' CG2' ' A' ' 66' ' ' THR . 1.5 mp0 -78.24 171.48 14.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.36 178.63 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.68 148.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -102.98 135.59 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -101.02 116.99 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 4.2 t -99.67 131.36 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 23.3 t80 -137.43 135.24 36.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.83 166.45 23.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.11 124.45 4.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.33 -175.09 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -86.98 -28.52 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -115.97 145.61 42.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -54.08 -40.61 67.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.95 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.15 -46.04 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.74 -60.23 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.02 -59.01 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.4 -63.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.803 HD22 ' HB1' ' A' ' 57' ' ' ALA . 12.4 tp -41.54 -56.75 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -67.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.596 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t80 -39.24 -45.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.5 mt-10 -65.64 -67.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.791 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.4 t -39.89 -63.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 p -38.95 -48.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -67.45 -52.68 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.4 mt -44.7 -44.49 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 89' ' ' VAL . 7.5 t -56.49 -65.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.2 t80 -37.61 -41.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.05 -48.72 15.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.677 HD13 HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -62.92 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.98 -61.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.03 72.47 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.17 150.09 46.94 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 148.57 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 0.731 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.39 -135.34 25.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.87 161.76 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -164.63 160.53 15.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.58 19.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -96.27 152.51 38.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 110.367 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.1 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.8 -157.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.06 -75.84 0.96 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -40.79 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t 71.76 -62.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 134.38 35.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -162.47 170.49 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -141.14 169.85 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.64 -151.29 10.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 p -163.57 169.19 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -122.85 170.07 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 -159.18 13.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 128.42 52.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 0.735 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.47 122.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.7 t80 -142.31 88.87 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 63.74 121.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.0 t0 -117.59 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 9.9 mt -90.74 154.29 45.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 156.91 43.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.78 148.78 21.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -146.68 129.2 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -130.43 151.7 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.2 mt -141.36 164.84 29.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -115.51 104.85 12.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 22' ' ' VAL . 47.9 t -85.02 103.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -65.71 88.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 20' ' ' VAL . 5.1 m -81.26 -170.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -121.35 -55.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 70.9 -60.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 58.13 97.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.22 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.7 125.12 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 tp -74.64 138.13 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.66 164.38 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m 58.8 65.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -74.86 159.78 31.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.1 164.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.65 126.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.41 83.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -159.13 137.63 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 mt-30 -157.86 99.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 79.56 65.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.06 93.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.794 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.5 p -44.43 157.19 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.778 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.6 Cg_endo -74.96 144.44 80.98 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.009 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.794 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.88 73.44 0.95 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.549 1.156 . . . . 0.0 111.057 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD13 ' CG ' ' A' ' 40' ' ' PRO . 7.5 tp -73.5 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 14.4 pt20 -59.22 -44.65 92.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.26 -47.57 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.96 -72.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 47.5 mt -45.23 -49.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 62.2 m-20 -44.17 -44.29 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -61.86 -41.48 97.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 6.2 mt -72.99 -17.38 61.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG22 HD21 ' A' ' 85' ' ' LEU . 78.9 t -89.29 -25.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -85.45 -25.74 26.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.56 -11.78 60.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -107.34 176.08 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.611 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -102.56 123.34 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 55' ' ' THR . 1.5 mm? 41.32 51.03 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -97.59 156.72 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.99 132.27 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' CD1' ' A' ' 60' ' ' PHE . . . -149.73 152.48 35.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' A' ' 59' ' ' ALA . 65.8 m-85 -155.71 178.01 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.08 130.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 ttt85 -153.32 120.88 3.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.32 21.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -103.89 16.05 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' SER . . . 36.95 56.73 1.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -99.06 -18.79 17.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.87 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -155.31 30.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.471 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 8.6 mt -124.57 142.72 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.79 145.65 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -97.27 137.14 36.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.1 t -121.01 152.97 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -153.19 128.03 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.38 147.25 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -156.03 128.1 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -128.24 176.22 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -64.03 -29.62 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.23 157.59 29.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -74.35 -30.5 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -31.95 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -87.96 -44.22 11.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.46 -42.79 54.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.21 -46.41 61.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 57' ' ' ALA . 10.0 tp -50.27 -51.07 47.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.95 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.671 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.7 t80 -41.0 -43.29 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mm-40 -64.18 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 93' ' ' VAL . 42.2 t -40.07 -64.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.446 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.5 p -39.57 -44.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -70.69 -50.35 37.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.8 mt -47.59 -46.31 28.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.2 t -57.4 -62.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -37.55 -39.88 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 111.012 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -60.02 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 92' ' ' LEU . 1.2 mt -51.72 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.07 -62.44 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.76 56.98 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.6 164.05 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.635 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 36.7 pt -117.5 138.01 49.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.98 -139.82 14.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.95 153.78 19.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -90.82 153.74 45.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.74 20.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -99.34 149.88 36.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 125.08 9.07 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.54 152.98 21.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.88 103.19 2.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.9 m 61.76 139.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 107.91 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.116 . . . . 0.0 111.066 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -112.75 162.56 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -128.44 158.8 37.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -140.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m 60.66 169.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -87.58 86.14 7.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.86 -103.02 1.46 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.49 8.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.9 pt -54.54 143.26 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.1 p90 -139.17 43.09 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.73 121.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -145.49 21.55 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.63 157.69 0.17 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.9 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.09 148.99 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -148.5 132.53 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -128.91 144.87 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -135.43 169.05 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -114.03 121.31 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 22' ' ' VAL . 48.7 t -87.2 90.7 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 1.2 ptpp? -54.84 109.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.6 m -116.68 -163.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.4 -49.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t70 55.16 102.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -118.14 125.6 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -42.57 106.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -120.08 131.18 73.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 29' ' ' SER . 2.4 tp -92.24 113.09 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER 81.68 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -159.77 -72.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.8 m -107.85 115.74 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER 169.72 95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 32' ' ' ASP . . . 177.38 120.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -107.6 81.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -177.57 156.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 3.0 tt0 79.94 163.29 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.35 129.03 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -40.31 120.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.9 p -89.86 154.68 47.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -75.04 146.26 86.12 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.014 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -75.05 94.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.991 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.19 -55.84 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.977 HD13 ' HG ' ' A' ' 96' ' ' LEU . 19.1 tp -44.04 -65.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.8 pt20 -50.28 -30.65 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -73.17 -49.28 29.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -66.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.0 mt -53.64 -40.79 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 4.6 t30 -58.67 -30.51 67.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.91 -45.47 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.29 -31.63 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 47' ' ' ILE . 78.9 t -71.27 -25.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -33.33 14.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -67.26 -28.08 67.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.24 174.39 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -95.67 116.74 29.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.7 mm? 40.49 64.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.775 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -107.07 168.22 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -166.13 126.9 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.64 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -130.91 151.13 51.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.0 m-85 -153.76 175.84 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.8 m -152.99 144.92 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 mtt85 -140.99 118.23 7.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.08 -6.22 17.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' PRO . 42.0 t -39.05 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.93 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -56.32 -24.23 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.5 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.74 167.13 2.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt 73.31 145.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.5 153.36 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -95.83 130.92 42.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -114.28 141.3 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -138.43 140.72 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.71 142.96 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -154.54 140.27 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -146.7 179.22 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -74.91 -18.84 60.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.01 151.0 49.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -68.6 -38.08 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.78 -36.51 72.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -41.82 27.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.94 -47.32 71.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -64.31 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.71 -63.93 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD22 ' HB1' ' A' ' 57' ' ' ALA . 6.5 tp -44.6 -58.75 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.376 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.7 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.664 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.4 t80 -42.44 -42.1 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.25 -67.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 93' ' ' VAL . 85.4 t -39.78 -58.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -44.18 -49.19 9.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.664 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -65.25 -50.23 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.2 mt -45.5 -51.99 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 89' ' ' VAL . 8.1 t -53.59 -64.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 103' ' ' ARG . 5.1 t80 -42.92 -28.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -55.04 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.977 ' HG ' HD13 ' A' ' 43' ' ' LEU . 3.5 mm? -70.17 -87.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.04 -50.73 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.33 120.46 4.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.38 -176.38 23.38 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.809 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.0 pt -114.21 168.89 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 60.06 -137.63 49.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -104.61 147.21 27.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.541 ' HG2' ' CD1' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -62.16 155.86 62.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.3 Cg_endo -74.99 141.46 26.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' OE1' ' CE1' ' A' ' 87' ' ' TYR . 0.9 OUTLIER 55.34 164.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.62 38.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -106.1 95.83 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.78 127.33 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.21 4.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.7 m -62.03 143.66 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.57 159.64 34.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.3 -61.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -42.86 152.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.81 -147.96 6.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.3 168.34 25.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -130.17 165.54 22.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.77 85.26 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.33 171.93 13.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -47.26 120.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -142.28 88.24 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.57 121.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -148.06 98.79 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 34.2 mt -52.06 148.14 11.6 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.44 42.52 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -162.03 147.02 12.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -149.87 133.8 16.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -135.42 127.23 29.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.2 168.07 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 20.7 pttt -113.96 112.56 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.3 126.74 51.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -93.06 80.18 4.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -74.72 -164.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 100' ' ' ILE . . . -128.69 -46.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 54.06 86.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -71.6 93.61 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.7 122.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -97.94 119.72 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 tt -159.27 159.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m 39.72 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 t -118.53 122.55 42.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -173.16 146.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -127.13 110.07 12.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.98 -61.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.13 150.43 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -105.01 -60.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -75.52 103.49 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.63 161.23 40.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -55.73 -172.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.816 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.7 p -65.24 157.5 76.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -74.95 144.59 81.44 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.02 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.816 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 119.59 5.72 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.77 55.59 26.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.936 ' CD1' HD22 ' A' ' 96' ' ' LEU . 9.6 tp -51.18 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -57.8 -33.54 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.21 -45.34 79.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.52 -72.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mt -53.04 -44.59 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 10.2 t30 -50.29 -39.09 44.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -68.49 -37.93 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.23 -35.53 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.86 -24.6 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -89.1 -28.63 19.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -13.44 61.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 4.1 m-85 -103.48 -176.09 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 HG23 HD22 ' A' ' 56' ' ' LEU . 1.3 m -107.0 119.82 40.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 55' ' ' THR . 1.2 mm? 40.29 61.33 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -106.33 161.23 14.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -159.51 127.43 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.26 152.79 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -160.98 -175.72 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.64 145.85 29.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 114.17 2.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.11 18.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.75 -174.8 2.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.57 -68.58 0.2 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -43.39 -33.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.407 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -176.11 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -114.0 24.47 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 70' ' ' VAL . 20.5 mt -80.64 161.35 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' N ' HG22 ' A' ' 69' ' ' ILE . 35.9 t -118.16 118.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -93.88 110.76 22.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -81.44 129.2 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 149.89 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.33 142.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -148.11 179.74 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -178.85 163.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -64.48 -39.46 93.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -97.1 154.31 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.1 tt0 -67.08 -49.21 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -64.89 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -51.05 -44.55 61.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -47.62 -55.55 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.99 -58.0 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -63.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 57' ' ' ALA . 13.5 tp -48.87 -52.71 22.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -51.54 -70.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 91' ' ' LEU . 1.1 t80 -42.08 -44.81 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' O ' HD23 ' A' ' 92' ' ' LEU . 4.3 mt-10 -61.77 -68.49 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 93' ' ' VAL . 23.9 t -38.49 -59.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 -44.21 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 87' ' ' TYR . 5.3 mt -65.05 -50.57 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -43.91 -51.45 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -57.88 -63.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.7 t80 -36.87 -38.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.18 -56.24 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -55.57 -79.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.32 -54.77 8.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.55 61.96 0.5 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -43.3 160.27 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 23' ' ' ALA . 1.2 pt -136.66 138.94 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.49 -128.63 35.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -46.93 153.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.65 160.73 29.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.67 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -115.35 155.8 46.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 18.5 Cg_endo -74.94 159.54 41.44 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.71 101.0 6.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 171.32 168.91 33.62 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.78 38.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -56.29 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.8 m -147.3 -57.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.07 166.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -146.62 147.46 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 133.01 8.18 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.45 89.37 3.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.54 -59.14 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.44 82.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 172.13 9.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -52.21 138.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 11.1 t80 -141.08 88.88 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.19 122.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -156.83 101.01 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.4 mt -52.73 145.51 21.41 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.97 147.66 34.35 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.53 141.89 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -147.86 132.51 17.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 10.6 pt20 -132.01 120.66 22.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -98.49 163.16 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -111.46 114.4 27.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.3 t -90.84 112.95 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -77.68 91.31 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 m -83.35 -163.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.8 -46.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.58 -78.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 19.2 ttt180 76.55 99.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 63.81 119.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.54 129.82 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 tt -175.72 122.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.24 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.6 m 54.02 90.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.2 p -143.27 139.28 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.78 93.59 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -175.5 150.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -143.13 86.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 87.84 5.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 73.31 -69.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.49 159.65 41.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.83 151.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.85 HG22 ' HD3' ' A' ' 41' ' ' PRO . 2.5 p -47.52 157.52 0.56 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.1 Cg_endo -75.05 144.71 81.75 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.989 0.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.85 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.36 -50.15 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' CD1' HD22 ' A' ' 96' ' ' LEU . 12.6 tp -40.64 -56.6 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 tp-100 -57.37 -50.58 72.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.5 mt-10 -55.28 -58.59 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.74 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' ALA . 11.3 mt -51.15 -49.38 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.4 t30 -49.04 -35.65 16.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.9 t70 -71.82 -43.57 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD23 ' HE2' ' A' ' 53' ' ' LYS . 2.3 mt -66.1 -43.89 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 61.1 t -52.32 -25.28 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -81.74 -36.96 28.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HE2' HD23 ' A' ' 50' ' ' LEU . 32.9 mtpt -55.02 -47.21 75.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 85' ' ' LEU . 82.1 m-85 -89.06 159.76 17.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.64 140.0 30.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.2 mm? 47.54 45.15 17.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 54' ' ' TYR . . . -95.19 153.18 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -163.45 125.04 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -122.78 162.86 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 9.4 m-85 -157.71 176.94 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.43 135.49 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -143.92 116.13 5.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' SER . 18.2 Cg_endo -75.01 -6.7 18.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -38.86 141.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.05 103.3 1.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 66' ' ' THR . 65.2 p -43.59 -42.11 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 0.725 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -62.8 172.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -88.63 51.14 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 19.0 mt -126.03 146.82 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 t -105.4 138.19 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -103.22 111.96 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 2.7 t -97.33 125.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -111.1 141.89 43.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.2 140.1 13.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.34 178.81 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.32 158.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -73.27 -5.96 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -121.02 164.15 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -81.89 -46.13 14.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.32 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.451 ' HB3' ' CD1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -54.0 -54.83 33.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 14' ' ' PRO . . . -40.91 -32.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.8 -55.16 3.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -63.16 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.595 HD13 ' CD2' ' A' ' 54' ' ' TYR . 24.3 tp -41.83 -56.42 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -49.42 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.692 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 47.2 t80 -39.26 -46.25 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -57.05 -51.33 69.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.8 t -55.63 -66.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' VAL . 5.7 p -39.23 -50.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.692 ' CD1' ' CE2' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -62.35 -50.06 73.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 50' ' ' LEU . 19.7 mt -46.02 -47.82 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.5 t -51.11 -65.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 103' ' ' ARG . 1.9 t80 -42.28 -29.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -58.0 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD22 ' CD1' ' A' ' 43' ' ' LEU . 7.0 mp -68.45 -88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -41.8 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.17 1.58 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -106.77 156.7 16.0 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.514 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -126.33 165.42 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.88 -132.64 11.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.7 99.54 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -39.0 156.01 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.35 28.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 154.82 73.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 99.82 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.43 154.44 20.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.85 161.43 4.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.74 6.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.84 162.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.2 t -176.89 153.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.107 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -148.8 142.26 25.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -131.33 99.78 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.48 -80.57 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -67.54 85.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -123.98 79.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.88 179.45 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.12 95.82 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 10' ' ' TYR . 96.0 mt -142.63 152.01 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 9' ' ' ILE . 10.9 t80 47.58 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.79 122.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 107.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 12.5 mt -52.74 145.29 22.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.2 Cg_endo -74.99 165.09 32.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.55 1.816 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.04 142.77 15.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.97 122.47 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 1.1 pp0? -119.35 147.94 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.5 177.94 7.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB3' HG21 ' A' ' 69' ' ' ILE . 5.5 mttt -137.1 105.91 5.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG11 ' HB ' ' A' ' 93' ' ' VAL . 76.1 t -89.57 88.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.739 ' HA ' HG23 ' A' ' 69' ' ' ILE . 6.0 ptpt -54.09 114.58 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 20' ' ' VAL . 17.0 m -100.11 -168.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -118.55 -61.83 1.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 177.71 152.36 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 50.17 78.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -46.94 76.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.1 p -134.85 117.19 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.51 122.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.45 110.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t -89.39 12.1 17.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -114.16 147.05 39.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -47.59 159.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.61 138.88 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.8 168.69 25.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 155.16 40.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 57.89 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.24 146.52 52.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG12 HG23 ' A' ' 39' ' ' THR . 58.3 t -54.98 -72.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.744 HG22 ' HD3' ' A' ' 41' ' ' PRO . 11.4 p -135.39 156.67 77.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.948 ' HD2' HD22 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.02 141.06 70.63 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.031 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.744 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.0 Cg_endo -75.05 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.82 9.94 19.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.948 HD22 ' HD2' ' A' ' 40' ' ' PRO . 12.6 tp -57.43 -62.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -29.44 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.27 -42.86 87.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.05 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' VAL . 60.2 mt -49.81 -41.56 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -51.72 -30.57 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -83.62 -49.83 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.76 -30.0 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 47' ' ' ILE . 74.1 t -70.8 -25.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -91.11 -37.16 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -62.51 -22.76 66.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.13 -179.78 5.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -97.07 111.58 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 40.82 57.15 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -94.75 165.69 12.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -167.84 129.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -143.68 156.53 44.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' VAL . 72.1 m-85 -159.52 169.43 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.3 m -156.76 132.16 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 116.66 4.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.04 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t -39.07 130.19 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.55 -87.1 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER 177.93 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER 168.28 119.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER 162.55 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 21' ' ' LYS . 2.8 mp -64.84 154.12 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 t -74.48 132.89 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -82.41 104.09 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -96.42 128.91 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 5.8 t80 -143.92 132.72 22.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.746 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -137.54 164.01 29.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -157.99 150.08 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.85 172.29 14.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -73.4 -14.6 61.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.18 145.49 51.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 4.5 pt20 -71.09 -6.76 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.27 -42.34 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -36.92 22.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.53 15.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.5 OUTLIER -91.47 -55.64 3.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -62.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.4 tp -50.55 -67.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.746 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.14 -59.29 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -48.88 -32.18 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.3 mt-10 -81.59 -52.51 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 93' ' ' VAL . 61.4 t -40.05 -45.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.487 ' OG ' HD12 ' A' ' 91' ' ' LEU . 81.0 p -47.1 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' OG ' ' A' ' 90' ' ' SER . 7.5 mp -49.62 -51.23 39.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.6 mt -43.43 -54.75 4.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 89' ' ' VAL . 11.2 t -51.41 -64.79 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 1.5 t80 -47.42 -52.7 16.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.77 -59.96 4.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 43' ' ' LEU . 3.6 mm? -67.17 -83.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -38.88 -59.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . . . 145.22 -60.7 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.4 161.69 0.16 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 1.03 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.4 pt -133.8 160.58 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.435 0.727 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.09 -156.28 35.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -88.69 142.87 27.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.534 ' HG3' ' CE2' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -85.49 152.09 57.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' GLN . 18.2 Cg_endo -75.0 136.79 20.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.7 mt-30 58.87 152.81 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.52 128.9 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.17 -148.05 19.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 106.13 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 119.87 39.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -93.43 -57.14 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.73 -58.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -174.76 165.54 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.66 95.48 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 t -168.16 129.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 165.52 33.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.76 106.86 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.99 154.52 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 0.792 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.11 123.58 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 4.0 p90 -138.82 42.39 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -179.01 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.83 114.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mt -46.12 154.78 0.58 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.45 42.92 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.24 146.2 18.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -148.79 134.22 18.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -125.74 152.5 45.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 87' ' ' TYR . 2.0 mt -138.62 168.25 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -116.7 100.25 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.768 ' O ' HG13 ' A' ' 22' ' ' VAL . 44.5 t -81.32 100.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 21' ' ' LYS . 3.2 ptpt -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 20' ' ' VAL . 4.6 m -112.04 -159.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -138.06 -55.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -78.0 112.22 14.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.99 161.84 17.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -105.28 113.16 26.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.27 147.98 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.9 mt 64.26 144.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 t -60.42 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m 63.49 139.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.9 m 59.28 83.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.0 146.47 52.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.08 114.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -118.32 149.61 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -174.2 -53.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.39 179.87 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.8 134.82 56.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.49 -169.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 45.1 p -89.71 154.46 48.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.03 141.32 71.39 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.99 -0.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.1 Cg_endo -75.07 91.76 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 148.38 -53.04 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD13 HD12 ' A' ' 96' ' ' LEU . 18.6 tp -44.94 -43.17 8.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.3 -34.27 72.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.7 tm-20 -72.3 -54.11 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.584 ' CG2' ' HB3' ' A' ' 59' ' ' ALA . 11.2 mt -53.55 -44.97 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 3.6 t30 -53.24 -49.12 67.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -56.95 -30.43 64.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -80.58 -52.51 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -51.89 -25.18 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -33.85 20.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -70.97 -28.25 64.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -89.74 171.06 9.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.9 122.06 41.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 42.19 51.52 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -97.02 166.56 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.62 125.56 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . . . -134.68 147.99 50.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 57.5 m-85 -157.04 169.01 25.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.97 144.81 34.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.08 117.94 3.09 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.98 6.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.97 102.34 7.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.37 108.09 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -41.94 -32.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.61 -175.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 12.8 mt 74.72 151.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -134.99 142.03 41.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -92.78 124.87 37.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.4 t -109.66 156.49 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -147.75 140.97 25.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -149.24 146.06 27.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.29 123.71 9.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -126.41 165.1 19.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -60.54 -22.87 64.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 137.35 51.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.47 -32.37 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -31.76 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.435 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -88.45 -42.98 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -67.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -46.22 -60.6 2.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -63.62 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.0 tp -49.66 -54.05 20.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -50.49 -68.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 3.1 t80 -48.45 -50.88 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' VAL . 1.3 mt-10 -54.72 -59.97 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.896 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.8 t -39.83 -52.44 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -40.49 -65.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.5 mp -48.9 -49.24 40.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.4 mt -50.46 -39.69 48.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -71.29 -49.5 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.533 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 82.5 t80 -50.25 -39.78 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -88.74 -60.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD12 HD13 ' A' ' 43' ' ' LEU . 1.9 tm? -55.15 -68.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -56.35 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.46 77.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.94 163.57 24.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 23' ' ' ALA . 20.8 pt -108.55 150.63 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.94 -146.3 18.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ARG . 28.9 mt-10 -128.04 51.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.533 ' HG3' ' CD2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER 60.97 131.4 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 139.0 23.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -113.31 152.7 45.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.552 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.96 153.05 41.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.9 t -82.42 81.08 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.16 176.21 26.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.69 30.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.52 164.53 29.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.91 -58.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.85 108.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.95 148.44 23.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.83 -174.72 46.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.53 161.46 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 0.807 . . . . 0.0 110.02 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 164.74 38.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.97 -148.23 5.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.69 169.92 10.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 pt -68.33 -177.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 33.1 p90 -139.65 47.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.0 111.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.88 106.09 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.45 143.5 10.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.93 42.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.12 147.65 26.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -144.33 120.33 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -108.67 142.55 39.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mt -135.38 172.64 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' CG ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -133.32 134.57 43.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.6 t -128.24 109.69 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -74.83 86.84 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 70' ' ' VAL . 8.9 m -67.43 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -124.06 -56.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.32 117.31 8.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -86.13 119.37 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 68.87 165.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -51.34 123.69 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.671 HD12 ' H ' ' A' ' 28' ' ' ILE . 4.8 mp -44.84 122.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.2 m 55.75 99.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.052 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m -74.04 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.2 p -81.86 56.94 3.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.39 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.57 152.22 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 53.3 176.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -144.6 76.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 62.79 174.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 61.18 152.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . -170.49 150.73 3.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG23 ' OG1' ' A' ' 39' ' ' THR . 33.0 m -40.45 -44.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.704 HG22 ' HD3' ' A' ' 41' ' ' PRO . 6.5 p -149.84 156.77 38.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.769 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 144.99 82.7 Favored 'Cis proline' 0 C--N 1.359 1.132 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.974 0.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.704 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.25 61.75 5.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.769 HD13 ' CG ' ' A' ' 40' ' ' PRO . 8.9 tp -51.46 -63.19 1.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.04 -33.09 70.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.12 -39.21 81.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.41 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.8 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.3 mt -51.28 -41.54 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -52.34 -44.73 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -62.29 -39.75 94.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 3.2 mt -73.63 -20.65 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -78.32 -26.55 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.76 -33.83 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -65.71 -13.47 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 5.4 m-85 -108.58 169.27 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 ' CB ' ' A' ' 77' ' ' ASN . 2.8 m -90.3 117.49 29.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 42.2 63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.34 162.58 13.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.89 145.95 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.596 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.7 t80 -147.97 -173.78 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.6 m -157.09 146.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.29 120.03 3.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.8 43.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -93.12 -161.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.93 -56.22 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -73.12 -46.14 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.89 173.38 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -115.76 65.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.588 HG21 ' CG ' ' A' ' 19' ' ' LYS . 82.0 mt -129.34 152.91 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' HG11 ' A' ' 22' ' ' VAL . 16.3 t -108.32 95.18 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.5 117.33 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.3 t -97.26 142.39 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 128.01 18.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -143.43 143.1 31.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -146.31 155.67 42.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -152.08 -173.55 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.516 ' CB ' HG22 ' A' ' 55' ' ' THR . 12.9 t-20 -88.49 -13.86 39.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -131.25 141.07 49.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -62.13 -23.77 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -30.31 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.443 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -86.77 -45.77 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.54 -52.65 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.19 -55.75 16.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -39.87 -62.38 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.55 -62.55 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -41.15 -64.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.687 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 4.5 t80 -44.22 -49.12 9.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.05 -60.66 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 93' ' ' VAL . 98.9 t -47.48 -66.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -39.53 -50.73 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -62.4 -49.4 75.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 92' ' ' LEU . 18.8 mt -46.25 -59.38 2.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 89' ' ' VAL . 14.6 t -43.82 -65.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.535 ' CE1' ' HG2' ' A' ' 103' ' ' ARG . 2.4 t80 -41.26 -30.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.35 -47.43 9.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 40' ' ' PRO . 3.4 mm? -75.21 -87.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.99 -48.73 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 104.59 2.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -99.8 154.06 19.58 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.75 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 9.9 pt -117.66 144.77 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.52 -149.51 17.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.88 135.8 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 94' ' ' PHE . 22.0 mtm180 -89.35 154.4 48.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 152.49 40.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -111.05 162.37 21.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.484 ' HA ' ' CE1' ' A' ' 87' ' ' TYR . 18.4 Cg_endo -75.03 139.31 24.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.831 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 p -105.59 116.33 31.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.65 148.37 6.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.9 11.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.31 120.36 19.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -85.9 137.92 32.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.04 168.3 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.97 169.75 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.1 -179.83 27.16 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.87 158.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.41 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.47 139.0 18.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.51 -177.3 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -61.84 145.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 13.3 t80 -133.81 85.81 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.36 122.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -170.44 106.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 7.8 mt -49.28 139.23 14.02 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.99 155.4 42.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -160.67 146.22 14.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -149.68 132.67 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.4 pm0 -137.0 123.26 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.757 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.17 163.44 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.6 100.92 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG12 HG12 ' A' ' 22' ' ' VAL . 59.6 t -77.67 125.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -83.56 77.74 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 23' ' ' ALA . 2.5 m -89.02 -162.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' VAL . . . -131.64 -48.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.18 156.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -126.77 -72.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.37 139.61 45.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 27' ' ' VAL . 7.9 p -128.75 107.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -58.41 -39.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.91 157.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p -146.76 116.15 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.13 -36.51 6.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.99 97.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -143.16 156.68 44.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.21 70.87 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -174.56 168.45 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 6.1 mt-30 66.2 -72.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 78.8 120.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG22 ' H ' ' A' ' 39' ' ' THR . 9.9 p -146.03 172.26 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.727 HG22 ' HD3' ' A' ' 41' ' ' PRO . 15.5 p -38.48 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.98 140.19 65.97 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.039 -0.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 144.75 -56.72 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.843 HD12 HD13 ' A' ' 96' ' ' LEU . 18.3 tp -38.63 -49.03 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -62.33 -49.81 74.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.94 -51.02 71.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.76 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.3 mt -52.7 -44.93 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.1 t30 -52.77 -27.72 19.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 -36.93 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CD1' HD11 ' A' ' 92' ' ' LEU . 4.6 mt -76.72 -16.09 59.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 47' ' ' ILE . 65.4 t -86.03 -23.75 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -95.88 -8.76 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.75 -43.7 75.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 81' ' ' SER . 80.4 m-85 -100.42 167.88 10.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.81 125.0 35.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt 60.26 69.21 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.4 157.93 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -161.63 133.09 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.587 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -123.53 161.8 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 32.4 m-85 -161.98 -174.29 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.61 144.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 114.28 5.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -6.46 18.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.46 125.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 137.75 105.18 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.02 -47.34 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.8 -175.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.53 57.71 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 22.0 mt -125.93 148.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.5 t -123.92 125.93 71.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -93.02 101.49 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -74.31 135.1 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.77 148.78 29.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -171.17 129.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 161.8 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.02 170.44 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -72.68 -14.95 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 14.9 m -118.27 163.46 16.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -81.38 -33.07 32.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -60.44 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -61.3 -40.92 95.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 78' ' ' SER . . . -47.51 -35.9 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.64 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -63.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 tp -44.93 -55.27 5.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -51.49 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 3.5 t80 -42.56 -36.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.19 -61.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 93' ' ' VAL . 22.1 t -46.2 -64.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.492 ' OG ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -40.91 -48.08 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.571 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 3.4 mt -57.5 -59.52 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.0 mt -42.95 -56.2 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 89' ' ' VAL . 12.8 t -42.12 -62.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 4.3 t80 -37.21 -37.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -89.18 -60.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.843 HD13 HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -46.91 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.61 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.53 80.31 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.7 179.49 30.28 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 pt -132.96 139.45 49.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.01 -131.23 10.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -113.26 145.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 6.1 mtp180 -62.14 150.67 83.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.85 27.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -109.7 155.23 41.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.803 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -59.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.66 108.35 0.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 153.26 41.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.78 116.32 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.59 141.18 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 134.34 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -161.79 161.85 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 148.97 18.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 p -167.46 104.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 135.2 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.18 -175.75 2.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.91 138.46 8.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pt -55.14 144.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.7 t80 -136.82 86.96 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.52 122.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -128.76 92.22 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 mt -50.58 150.63 4.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.95 155.99 43.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -149.7 156.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -147.04 141.51 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -131.13 141.81 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mt -139.57 160.3 40.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -110.91 129.33 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 22' ' ' VAL . 19.7 t -107.0 98.45 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.02 101.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 20' ' ' VAL . 15.5 m -98.04 -169.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.53 -52.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -152.74 148.43 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -52.63 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.58 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 27' ' ' VAL . 3.5 p -94.95 14.69 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 tp -93.43 129.0 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.08 106.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -110.19 122.5 47.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -110.21 4.83 21.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.21 128.26 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -158.64 151.55 22.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 68.42 -70.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -52.65 103.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.85 146.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 42.05 82.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.4 m -80.8 159.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 34.5 p -129.89 154.53 81.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.698 ' HG2' HD22 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 145.91 85.2 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.98 -2.509 . . . . 0.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 127.99 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 104.69 -45.24 1.33 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD22 ' HG2' ' A' ' 40' ' ' PRO . 24.4 tp -39.88 -59.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.9 tt0 -52.06 -52.53 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -56.58 -60.41 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.79 -69.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' HB3' ' A' ' 59' ' ' ALA . 6.5 mt -54.02 -53.18 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 5.8 t30 -43.53 -33.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.7 -47.29 40.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD23 ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -65.15 -50.36 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 47' ' ' ILE . 73.0 t -53.12 -25.91 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -39.16 16.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -24.97 66.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -92.52 169.84 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -96.39 120.93 37.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 42.23 52.56 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -94.71 165.33 12.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -166.43 124.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.594 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . -128.28 154.42 45.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 29.1 m-85 -155.72 -175.35 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -151.98 129.89 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -133.29 117.91 14.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.06 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 125.16 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.46 34.42 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -166.71 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -144.08 -93.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.91 166.66 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 19' ' ' LYS . 27.2 mt 71.3 149.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 63' ' ' PRO . 24.0 t -89.81 132.43 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -107.67 142.9 36.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.9 t -116.86 143.09 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -123.29 139.88 53.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.51 162.16 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -165.02 167.29 18.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.86 157.52 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -53.37 -25.52 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -113.55 155.52 25.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.43 -42.45 65.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -62.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -55.91 -47.71 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' SER . . . -40.52 -42.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.87 -56.79 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 54' ' ' TYR . 2.6 tp -50.29 -56.17 12.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.39 -71.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 104' ' ' PRO . 4.9 t80 -37.59 -47.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 91' ' ' LEU . 14.6 mt-10 -62.78 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 35.9 t -40.84 -55.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.47 -41.5 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 ' CD1' ' HG2' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -68.55 -39.77 80.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.16 -60.58 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' VAL . 9.9 t -40.48 -45.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -53.11 -49.25 66.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.504 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 6.2 pt20 -77.43 -46.54 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -56.96 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.33 -71.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.88 78.67 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.83 -167.51 9.09 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.695 HG21 ' HB2' ' A' ' 23' ' ' ALA . 3.5 pt -149.24 152.77 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.5 -162.41 23.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.25 124.86 34.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' PHE . 2.7 mtm180 -78.21 154.15 79.67 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.01 160.51 40.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.67 148.42 5.23 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 t -71.56 92.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.7 153.71 1.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.67 36.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.8 104.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.0 p -174.23 154.87 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.989 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -177.82 123.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -81.29 -59.54 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 141.09 4.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.58 98.87 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.16 85.81 2.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 -165.14 12.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.88 129.08 39.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -51.91 138.81 9.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 10.8 t80 -144.26 91.48 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.2 122.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.66 100.3 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 mt -41.21 154.47 0.23 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.2 Cg_endo -75.02 159.35 41.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.0 141.59 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 121.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -127.83 148.79 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -140.68 156.43 46.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HD3' ' CG2' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -112.42 116.26 30.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.62 118.26 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 94.61 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 m -84.77 -165.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -127.31 -52.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.89 111.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -134.42 93.56 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -122.78 156.41 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.295 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.34 -59.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 tt -137.44 149.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.66 115.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.6 m -130.44 -60.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 m -78.18 155.13 30.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.44 164.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.11 122.79 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -150.49 160.08 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.51 96.58 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 178.67 173.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.88 110.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 p -70.11 160.41 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.797 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.0 p -102.38 157.33 33.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 144.63 81.57 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.015 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.797 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.1 Cg_endo -74.99 97.74 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . 143.52 -55.44 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 96' ' ' LEU . 15.8 tp -39.07 -48.95 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 9.4 pt20 -62.14 -48.23 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.38 -54.53 45.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.94 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.574 HG21 ' HB3' ' A' ' 59' ' ' ALA . 7.6 mt -51.42 -43.58 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.9 t30 -57.81 -17.36 15.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -93.89 -37.36 11.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mt -74.58 -34.38 62.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 47' ' ' ILE . 70.2 t -64.73 -24.64 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -26.15 22.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -76.4 -33.72 58.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.19 174.13 11.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.82 121.57 40.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 2.9 mm? 40.55 55.83 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.19 164.39 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.32 124.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' HG21 ' A' ' 47' ' ' ILE . . . -130.28 152.21 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -147.26 179.3 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 148.38 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -153.27 114.1 2.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.42 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.4 t 60.08 162.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.08 105.93 2.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m 62.05 67.89 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 78.79 -72.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' O ' HD13 ' A' ' 69' ' ' ILE . 1.1 t0 -168.33 94.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD3' ' A' ' 19' ' ' LYS . 5.7 mm -134.52 144.91 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 93' ' ' VAL . 4.0 t -96.85 98.32 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HB3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -78.69 94.55 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 70' ' ' VAL . 18.7 t -76.85 143.41 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 71' ' ' ARG . 63.1 m-85 -137.66 142.06 41.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.095 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.97 150.12 32.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.82 124.75 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 56' ' ' LEU . . . -127.91 -171.89 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -82.83 -15.89 49.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -128.32 137.36 51.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 8.9 pt20 -53.9 -33.21 55.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -55.95 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.24 -60.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.44 -63.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -37.46 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.5 tp -76.64 -68.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.095 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -48.17 4.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.586 ' CE1' HD11 ' A' ' 91' ' ' LEU . 3.4 t80 -50.02 -68.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' LEU . 10.3 mt-10 -53.65 -51.54 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 85' ' ' LEU . 53.0 t -40.05 -59.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.577 ' OG ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -50.33 -42.19 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 87' ' ' TYR . 3.6 mt -64.86 -38.03 89.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' GLN . 19.1 mt -60.65 -60.4 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.595 HG11 HG11 ' A' ' 70' ' ' VAL . 6.2 t -40.06 -46.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE2' ' CG ' ' A' ' 103' ' ' ARG . 1.5 t80 -51.34 -46.03 62.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 3.2 pt20 -81.9 -46.35 14.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -56.08 -80.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.3 -70.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.86 76.62 0.07 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' C ' HG23 ' A' ' 100' ' ' ILE . . . -66.06 -178.69 8.67 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.4 pt -151.47 138.33 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.76 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.04 -178.43 35.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -48.18 156.22 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 0.748 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.559 ' CG ' ' CE2' ' A' ' 94' ' ' PHE . 5.3 mtp180 -111.02 148.68 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.406 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.02 136.8 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.447 1.761 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 104' ' ' PRO . 2.1 mt-30 57.77 156.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 155.61 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.81 -63.94 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.86 175.83 3.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.05 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.45 -57.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.89 91.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -156.76 143.95 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -156.81 151.05 25.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.79 -169.03 35.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -110.22 -59.24 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.76 147.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.88 139.7 14.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.63 151.88 37.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -52.07 147.47 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 9.6 t80 -141.25 87.23 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.28 122.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.16 106.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -42.43 151.37 0.37 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.94 42.22 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -157.41 149.66 22.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -149.64 124.45 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -124.85 147.96 48.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 HD11 ' HE ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -139.08 167.41 22.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 27.5 pttt -118.51 108.3 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -84.95 115.77 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.05 98.54 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 m -92.9 -164.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.82 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.1 -51.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.46 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -141.99 -51.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 70.59 -60.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.9 t 59.37 156.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -42.43 118.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.5 p -61.62 166.39 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 30' ' ' THR . 15.9 m -82.72 54.62 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 m 48.14 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.96 169.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 65.81 133.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -80.64 163.03 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' CG ' ' N ' ' A' ' 36' ' ' GLN . 1.6 ptt180 -78.23 -44.41 25.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 2.6 tt0 39.61 83.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 36' ' ' GLN . . . 173.18 -174.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t 62.95 157.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.832 HG22 ' HD3' ' A' ' 41' ' ' PRO . 1.9 p -46.46 157.58 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.774 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.3 Cg_endo -75.02 145.41 83.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.05 0.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.832 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.16 92.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD13 ' CG ' ' A' ' 40' ' ' PRO . 2.5 tp -87.56 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.7 pp0? -51.97 -49.61 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.08 -54.73 41.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.13 -72.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LEU . 22.8 mt -51.75 -47.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 7.3 t30 -49.11 -42.67 39.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.42 -29.2 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -80.81 -42.53 21.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -48.13 -25.09 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -87.44 -36.64 17.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 32.5 mtpt -49.18 -32.5 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.748 ' CE2' HD13 ' A' ' 85' ' ' LEU . 85.6 m-85 -102.36 178.15 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.75 HG23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -100.46 131.75 46.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER 40.01 62.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.32 156.56 19.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -156.1 128.47 7.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -129.78 156.78 43.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -155.27 -175.95 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 60' ' ' PHE . 4.3 m -151.72 146.71 15.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -149.01 114.21 3.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 136.36 20.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 p -67.64 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.23 -79.9 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -90.51 30.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.75 175.22 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -122.45 64.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 179.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 10.7 t -140.01 99.43 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 93.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 70' ' ' VAL . 48.9 t -82.13 157.34 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 1.4 t80 -160.14 147.42 16.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.77 150.16 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -148.23 175.49 11.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -169.47 161.38 9.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -54.64 -23.14 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -121.74 157.01 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -78.92 -19.02 52.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -50.38 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.444 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -71.13 -45.23 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.4 -37.5 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.49 -47.03 20.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -58.42 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD13 ' CE2' ' A' ' 54' ' ' TYR . 16.6 tp -54.25 -44.33 71.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.24 -71.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -43.95 -55.53 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.922 ' HA ' HD23 ' A' ' 91' ' ' LEU . 10.7 mt-10 -51.28 -59.92 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 85' ' ' LEU . 55.9 t -46.13 -53.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.01 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -64.3 -33.98 77.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 96' ' ' LEU . 19.2 mt -62.62 -68.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.46 -37.4 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 t80 -63.81 -48.54 76.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.605 ' CG ' HD22 ' A' ' 96' ' ' LEU . 4.8 pt20 -74.66 -45.96 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD22 ' CG ' ' A' ' 95' ' ' GLN . 2.5 mm? -56.76 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.77 -54.84 28.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 119.67 64.57 0.28 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -51.7 154.06 4.88 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.82 HG21 ' HB2' ' A' ' 23' ' ' ALA . 39.7 pt -104.67 143.75 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 0.717 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.76 -135.5 12.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -99.72 129.36 45.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -79.43 155.05 76.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 168.59 24.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -54.17 143.81 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.29 5.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.2 t 45.07 78.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -149.1 99.83 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.53 6.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -62.77 -66.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.86 94.4 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.23 -58.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.08 161.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.14 148.45 10.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.79 169.25 21.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.17 163.33 13.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -160.42 144.36 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 179.24 177.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.7 mt -43.45 153.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 11.0 t80 -145.62 90.33 1.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.22 122.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.22 103.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.9 145.87 21.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.83 42.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -159.72 141.56 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -149.91 136.02 18.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 4.4 pm0 -135.37 126.47 27.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.87 HD23 ' OG ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -104.1 178.77 4.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.736 ' CG ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -120.99 127.48 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 ' HG3' ' A' ' 104' ' ' PRO . 69.8 t -125.86 96.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -69.93 96.89 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -84.58 -178.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 100' ' ' ILE . . . -121.9 -48.26 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.31 110.31 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.61 107.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.74 155.62 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t 60.54 83.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 tt -51.55 162.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 41.3 t -164.19 147.18 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m -90.79 143.7 26.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.7 t -114.12 143.17 45.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.97 -56.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.47 76.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.06 170.17 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.24 98.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -148.44 110.71 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.78 126.87 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 39' ' ' THR . 8.3 p -166.77 171.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.775 HG22 ' HD3' ' A' ' 41' ' ' PRO . 3.3 p -52.0 157.21 2.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.04 144.81 82.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.959 0.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.775 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.29 -42.79 0.31 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.019 HD13 HD13 ' A' ' 96' ' ' LEU . 19.4 tp -41.42 -64.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 5.0 mp0 -48.53 -51.98 24.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -55.11 -56.07 24.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.27 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' VAL . 31.2 mt -50.95 -49.66 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 6.7 t30 -47.17 -46.79 23.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -58.61 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.49 -33.72 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 85' ' ' LEU . 71.7 t -69.66 -24.8 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -91.62 -35.67 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -65.69 -17.1 64.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.18 170.63 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.425 HG23 HD22 ' A' ' 56' ' ' LEU . 1.2 m -92.75 117.82 30.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HG23 ' A' ' 55' ' ' THR . 1.7 mm? 40.37 64.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -105.96 155.06 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.56 125.3 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.27 145.15 42.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -146.71 170.68 16.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.9 m -146.34 150.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -151.79 114.71 2.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t 39.0 89.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.89 -109.37 2.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.45 -51.65 10.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -132.85 -52.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -174.93 36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 19' ' ' LYS . 14.8 mt -95.11 146.19 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -89.1 96.48 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 105.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 90' ' ' SER . 6.9 t -85.65 131.39 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -130.7 147.89 52.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -172.11 140.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.49 -178.29 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.84 171.98 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.411 ' HB3' HG22 ' A' ' 55' ' ' THR . 9.0 t-20 -65.98 -25.83 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -124.24 149.79 46.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.088 . . . . 0.0 110.035 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.84 -41.08 87.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.37 -41.51 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 -50.11 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.13 -61.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.8 68.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CZ ' ' OE2' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -51.13 -63.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' A' ' 57' ' ' ALA . 7.2 tp -48.87 -61.11 2.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.662 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -41.54 -68.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -44.88 -61.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' OE2' ' CZ ' ' A' ' 84' ' ' ARG . 5.7 mt-10 -46.76 -63.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 93' ' ' VAL . 36.3 t -39.01 -56.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.87 ' OG ' HD23 ' A' ' 18' ' ' LEU . 4.3 m -39.37 -66.37 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.9 mp -47.69 -51.69 20.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.3 mt -44.45 -36.6 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.5 t -72.56 -48.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.561 ' CD1' ' HA3' ' A' ' 99' ' ' GLY . 1.8 t80 -62.15 -42.65 99.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 96' ' ' LEU . 5.5 pt20 -70.76 -45.8 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.019 HD13 HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -69.62 -77.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -42.19 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.7 57.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -45.01 165.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 23' ' ' ALA . 11.3 pt -139.75 141.14 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.47 -144.02 22.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.4 161.41 14.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -125.7 155.37 72.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.448 ' HG3' HG22 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 138.77 23.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.776 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -135.22 151.36 74.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.95 21.48 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.1 m -116.07 170.56 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.13 162.06 19.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.12 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.51 80.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.8 p -122.24 159.65 26.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -153.21 119.74 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -159.63 164.24 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.27 124.88 2.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.9 165.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -172.8 164.54 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.15 89.29 0.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.25 126.28 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -108.58 151.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.6 p90 -144.97 74.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.8 112.32 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.99 92.77 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 77' ' ' ASN . 6.3 mt -44.47 148.12 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.91 41.83 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.84 147.89 18.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -149.36 129.34 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -129.15 123.42 32.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.755 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -99.14 164.27 12.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -108.35 112.76 25.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.89 124.24 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 76.58 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.4 m -74.86 -174.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -123.08 -44.87 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.79 146.09 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -135.06 -54.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 59.71 96.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -47.43 166.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 tt -141.66 125.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.75 120.33 11.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.13 162.85 23.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -170.11 156.6 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.78 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -168.5 108.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.5 -53.34 10.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.69 118.46 26.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG3' ' CB ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER 65.2 153.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.62 -91.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 t -146.96 -51.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.803 HG22 ' HD3' ' A' ' 41' ' ' PRO . 6.7 p -136.31 157.06 76.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 142.28 74.28 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.059 -2.476 . . . . 0.0 111.031 -0.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.803 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.05 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.14 -50.93 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD13 HD22 ' A' ' 96' ' ' LEU . 17.1 tp -39.25 -64.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -48.28 -50.51 29.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -56.66 -48.24 78.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.27 -72.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 mt -51.55 -42.18 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 8.3 t30 -56.63 -30.51 63.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -79.61 -34.24 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.18 -25.47 51.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' ILE . 68.8 t -79.15 -24.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -15.18 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.42 -19.13 30.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -101.08 172.51 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -92.85 119.95 32.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 55' ' ' THR . 1.3 mm? 42.21 61.22 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -104.73 159.02 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.55 132.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.59 147.47 49.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.2 -174.13 3.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -144.18 139.34 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 mtt85 -152.83 119.16 2.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.74 3.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 t -178.42 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.72 -73.06 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.62 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -123.37 -87.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.233 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.66 14.46 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.413 HG21 ' CD ' ' A' ' 19' ' ' LYS . 28.4 mt -81.2 150.53 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.34 153.07 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -115.95 126.51 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 3.5 t -91.24 130.74 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.42 141.58 35.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.83 147.04 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -145.57 173.04 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -164.92 158.66 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.9 t-20 -64.3 -19.39 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.91 150.46 40.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -72.25 -22.38 61.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -48.21 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.97 66.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.82 -56.25 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 -46.76 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -63.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' HB1' ' A' ' 57' ' ' ALA . 8.9 tp -52.28 -60.6 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.565 ' HB1' HD21 ' A' ' 18' ' ' LEU . . . -42.74 -65.64 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -46.49 -56.17 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -49.63 -57.11 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LEU . 54.1 t -51.23 -65.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' VAL . 2.3 p -39.21 -46.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.17 -45.33 77.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' VAL . 12.7 mt -49.22 -50.32 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.75 -65.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 103' ' ' ARG . 21.0 t80 -38.07 -38.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -77.76 -53.38 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.837 HD22 HD13 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.95 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.57 -45.77 63.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.29 53.19 1.09 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 94' ' ' PHE . . . -39.29 152.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 23' ' ' ALA . 3.1 pt -99.36 151.03 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.74 -149.97 19.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -87.25 155.15 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 94' ' ' PHE . 9.7 mtp180 -74.31 151.5 87.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.72 19.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -136.49 156.25 76.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 166.96 28.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 p -91.55 -49.03 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -179.72 105.82 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.11 27.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 t -92.44 -63.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -167.14 169.38 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -170.94 172.56 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 70.74 -60.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.95 -162.54 42.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 60.29 153.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.744 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.47 -47.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.85 -177.84 9.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.33 157.96 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -69.97 149.65 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.9 44.32 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.3 121.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.83 -144.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -71.9 134.22 83.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.676 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.06 150.96 38.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.51 157.34 44.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -148.31 137.51 21.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 3.4 tt0 -124.45 143.0 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.17 156.49 47.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -121.33 132.75 54.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.9 121.04 57.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -79.64 82.63 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -74.18 -174.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -121.54 -44.96 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 48.83 95.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -88.98 92.26 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.33 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 6.6 p -103.96 134.45 45.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 pt -82.39 171.38 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 82.96 -67.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.434 HG22 ' C ' ' A' ' 29' ' ' SER . 4.5 t 42.87 37.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.79 165.29 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.47 174.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.17 81.89 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.52 108.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -104.66 -165.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -79.39 -5.56 54.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.21 123.61 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -63.88 123.56 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.745 HG22 ' HD3' ' A' ' 41' ' ' PRO . 4.4 p -73.49 157.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 144.21 80.23 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 0.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.745 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.0 96.32 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 141.36 -57.86 0.57 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.6 HD13 HD23 ' A' ' 96' ' ' LEU . 13.4 tp -40.35 -60.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.25 -40.64 59.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLY . 34.6 tt0 -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.53 -61.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 ' HG ' ' A' ' 43' ' ' LEU . 7.9 mt -54.49 -48.5 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -54.02 -33.78 58.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -30.47 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' LYS . 6.8 mt -75.46 -46.04 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG13 ' C ' ' A' ' 57' ' ' ALA . 67.6 t -48.84 -27.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -82.4 -35.44 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' LEU . 26.0 mtpt -56.6 -41.37 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.693 ' CE2' HD13 ' A' ' 85' ' ' LEU . 87.7 m-85 -92.07 158.31 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.708 HG23 HD22 ' A' ' 56' ' ' LEU . 1.1 m -80.51 128.7 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 55' ' ' THR . 0.4 OUTLIER 41.26 64.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.574 ' C ' HG13 ' A' ' 51' ' ' VAL . . . -105.96 161.53 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.7 125.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' TYR . . . -120.78 153.98 36.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -156.78 169.37 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.26 144.26 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.37 114.13 4.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.87 39.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -166.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.6 -55.87 10.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -125.22 -70.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.387 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' CG ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -160.2 110.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -179.21 90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG21 ' HD3' ' A' ' 19' ' ' LYS . 12.6 mt 73.39 148.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.73 115.76 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -74.7 125.13 28.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.85 138.77 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -126.21 134.81 51.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -152.92 136.89 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.79 128.83 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD13 ' A' ' 13' ' ' LEU . . . -124.72 178.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -86.05 -24.8 26.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -112.55 140.02 47.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -52.84 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -39.62 91.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' N ' ' HB3' ' A' ' 76' ' ' ALA . . . -50.48 -46.71 57.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.54 -48.98 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -55.48 8.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' CE2' ' A' ' 54' ' ' TYR . 29.2 tp -60.47 -60.91 3.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.87 -51.51 5.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 91' ' ' LEU . 3.4 t80 -54.65 -45.88 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' VAL . 2.9 mt-10 -62.19 -63.72 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 93' ' ' VAL . 88.4 t -40.19 -61.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 p -42.15 -47.11 4.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 87' ' ' TYR . 9.7 mt -67.34 -50.15 61.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 92' ' ' LEU . 3.1 mt -45.78 -44.95 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 89' ' ' VAL . 4.1 t -68.57 -64.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 1.4 t80 -38.09 -41.77 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.19 -55.56 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD23 HD13 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -53.41 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' VAL . . . -57.88 -66.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.54 57.23 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -46.3 164.12 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.612 HG21 ' HB2' ' A' ' 23' ' ' ALA . 1.8 pt -139.88 151.66 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.36 -131.74 34.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -41.65 132.11 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -152.93 160.48 30.93 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.28 20.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -131.41 151.96 79.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.28 35.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.9 p -75.16 128.81 36.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.81 120.76 22.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.36 24.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.78 143.36 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.9 159.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.57 162.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.958 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -127.32 157.49 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 107.68 3.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.56 130.83 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 0.8 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -80.35 89.74 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.55 66.55 3.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.33 12.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 10' ' ' TYR . 2.3 mp -95.69 168.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -113.98 45.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -177.31 119.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.3 106.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.35 152.0 0.9 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 79' ' ' GLN . 18.4 Cg_endo -74.95 156.33 43.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.24 149.2 17.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -149.69 131.7 15.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 5.8 pm0 -128.3 136.99 51.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mt -130.1 166.34 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CD ' HG21 ' A' ' 69' ' ' ILE . 1.5 mttm -131.58 106.44 8.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' VAL . 24.0 t -85.09 86.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -58.44 87.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' VAL . 26.9 m -59.6 -165.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.818 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -120.35 -60.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER 76.19 -59.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 36.82 -155.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.98 143.77 56.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.99 -49.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 29' ' ' SER . 1.2 tp -162.52 -52.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.577 ' O ' HG22 ' A' ' 30' ' ' THR . 0.3 OUTLIER 165.97 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER 81.28 151.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -175.25 128.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.27 166.35 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -168.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 35' ' ' ARG . 1.4 tt0 -153.75 -56.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 22.6 ptt180 44.02 -166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 39.4 67.98 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.17 137.44 51.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' THR . 59.1 t -109.47 -68.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 57.9 p -38.45 154.5 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 140.94 70.14 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.032 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 40' ' ' PRO . 18.3 Cg_endo -75.01 61.61 5.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' LEU . . . -172.17 -60.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 92' ' ' LEU . 22.3 tp -39.65 -64.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -43.35 38.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.51 -55.56 22.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.89 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 10.8 mt -51.65 -52.17 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -43.96 -29.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -84.58 -44.93 13.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.34 -17.38 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 47' ' ' ILE . 79.6 t -79.19 -26.55 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -98.78 -33.37 10.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -62.07 -20.27 63.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.3 -177.11 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.11 119.42 38.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 43.86 54.37 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.57 161.33 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 74' ' ' ALA . 2.8 mtt180 -167.76 125.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -138.3 160.03 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 79.1 m-85 -161.42 169.51 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 m -149.02 150.59 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB3' ' NE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -152.73 118.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.44 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.03 -177.75 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.064 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.94 -103.32 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -58.01 -53.12 61.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -39.76 -48.95 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.04 48.86 10.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG21 ' CD ' ' A' ' 19' ' ' LYS . 9.7 mt -120.89 148.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -105.62 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 13.1 ptp180 -73.31 122.93 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.8 t -103.81 144.87 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 17' ' ' GLN . 3.0 t80 -155.73 128.92 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' ARG . . . -141.93 160.11 40.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -158.66 125.92 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.95 171.34 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.49 -13.89 61.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -125.79 139.15 53.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -65.02 -11.02 34.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -58.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -40.41 85.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.43 -51.47 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -56.28 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 -56.59 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.4 tp -56.32 -60.29 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -39.97 -51.47 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.572 ' CG ' ' N ' ' A' ' 88' ' ' GLU . 1.4 t80 -57.62 -72.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.572 ' N ' ' CG ' ' A' ' 87' ' ' TYR . 2.1 mt-10 -40.33 -47.36 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' VAL . 69.4 t -52.74 -66.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 p -44.34 -53.6 6.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.824 HD12 ' CG ' ' A' ' 104' ' ' PRO . 1.7 mm? -55.87 -52.32 64.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HB3' HD11 ' A' ' 43' ' ' LEU . 26.5 mt -43.52 -36.51 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' VAL . 2.6 t -71.11 -43.67 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.0 t80 -61.23 -33.54 73.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -83.74 -60.37 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 92' ' ' LEU . 3.6 mm? -65.54 -87.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' VAL . . . -39.6 -51.54 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.4 101.99 2.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 94' ' ' PHE . . . -114.89 169.95 13.06 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.818 HG21 ' HB2' ' A' ' 23' ' ' ALA . 14.3 pt -107.32 129.09 61.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.95 -130.61 3.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.61 168.59 10.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.743 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -102.49 158.18 32.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.824 ' CG ' HD12 ' A' ' 91' ' ' LEU . 18.2 Cg_endo -75.0 156.69 43.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -86.03 151.87 55.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.25 22.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.06 148.61 42.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -165.14 -169.04 28.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.86 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.7 p -176.47 130.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.36 168.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.94 170.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.32 169.24 9.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.65 -157.21 13.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.87 170.55 16.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.044 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 163.65 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.96 -131.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ILE . . . -89.04 115.36 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 11' ' ' VAL . 13.0 mt 59.96 152.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 3.5 p90 -142.78 43.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -178.9 121.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -150.37 98.74 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt -49.7 140.82 14.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.6 42.71 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.69 158.78 18.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -149.74 140.18 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.3 pm0 -133.79 127.5 32.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.783 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -101.95 175.71 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 4.9 pttt -115.93 111.93 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 22' ' ' VAL . 46.2 t -81.6 95.28 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.07 101.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 20' ' ' VAL . 21.3 m -113.92 -163.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.23 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 147.39 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -160.0 125.02 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.5 t -121.24 -53.23 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mm -64.88 141.23 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.14 156.44 34.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 30' ' ' THR . 4.5 m -120.82 77.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 31' ' ' THR . 5.0 t -166.64 57.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.29 163.14 38.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.26 -57.43 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.27 -73.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -161.17 157.38 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 87.42 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.24 92.61 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 27.9 p -91.48 154.82 44.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.837 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -74.98 146.2 86.03 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.994 -0.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.46 59.05 10.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD13 ' CG ' ' A' ' 40' ' ' PRO . 14.8 tp -52.83 -57.24 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.3 mt-30 -53.05 -54.72 31.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' GLN . 2.6 tt0 -37.82 -42.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 43' ' ' LEU . . . -54.83 -72.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LEU . 12.2 mt -54.72 -47.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -47.74 -39.6 18.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -67.12 -35.63 80.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 mt -77.38 -26.1 51.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 47' ' ' ILE . 75.9 t -74.12 -25.34 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -93.07 -33.69 13.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -14.91 63.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CD2' HD13 ' A' ' 85' ' ' LEU . 3.4 m-30 -102.29 177.11 4.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.6 115.15 29.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 41.31 67.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -117.04 163.89 15.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -167.18 124.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 60' ' ' PHE . . . -122.35 165.3 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ALA . 35.7 m-85 -162.55 -178.1 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.85 134.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -150.31 119.24 3.66 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.33 11.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.0 t -98.06 40.78 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.81 -58.87 0.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.45 -40.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.06 -155.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 60.2 -175.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.29 155.81 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -103.79 157.23 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -119.32 113.12 20.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 90' ' ' SER . 2.6 t -90.68 125.45 43.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -112.57 141.78 45.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.02 144.12 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.94 165.95 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.99 171.83 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -77.1 -30.28 55.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.9 m -106.32 156.5 18.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -74.81 -10.24 59.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.28 -68.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.432 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.7 OUTLIER -49.65 -41.21 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.1 -44.09 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' TYR . 1.1 m-20 -84.98 -58.26 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.39 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.7 HD13 ' CD2' ' A' ' 54' ' ' TYR . 7.9 tp -53.11 -54.67 32.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.63 -70.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.639 ' CE1' ' CD1' ' A' ' 91' ' ' LEU . 2.5 t80 -39.07 -42.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.8 mt-10 -63.52 -67.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 t -38.45 -58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -43.09 -44.15 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.04 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.639 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -64.94 -49.5 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -45.5 -42.14 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' VAL . 6.3 t -61.65 -59.56 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD2' ' HD3' ' A' ' 104' ' ' PRO . 7.1 t80 -51.51 -27.34 10.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -59.74 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 43' ' ' LEU . 3.5 mm? -70.06 -85.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' LEU . . . -39.72 -46.8 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.71 120.12 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.72 -167.32 21.7 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.769 HG21 ' HB2' ' A' ' 23' ' ' ALA . 10.1 pt -119.05 146.66 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.33 -140.77 24.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -97.71 153.93 17.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' HG3' ' CD1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -60.73 150.59 75.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 94' ' ' PHE . 18.2 Cg_endo -75.05 139.61 24.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.79 157.3 34.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 87' ' ' TYR . 18.2 Cg_endo -75.02 -172.54 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -179.03 171.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 169.24 163.86 23.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.52 105.02 16.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.9 p -102.56 -57.62 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 108.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.0 127.95 15.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.14 120.82 6.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -176.22 117.23 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -117.96 149.52 40.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.36 103.55 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.62 129.35 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.85 173.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.9 t80 -136.31 87.06 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 66.24 121.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.366 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.19 101.83 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 48.4 mt -47.46 136.81 9.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.98 164.02 34.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -155.61 151.16 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -145.84 135.9 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.32 131.01 50.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.02 148.98 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HD3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -111.29 129.03 56.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.47 110.0 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 93.38 3.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.22 -171.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.833 ' HB2' ' CG2' ' A' ' 100' ' ' ILE . . . -123.18 -56.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -159.32 120.43 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.43 121.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 175.85 124.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.1 p -126.77 12.28 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 pt -85.43 133.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.45 -80.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.8 m -137.86 -51.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 m 62.42 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.9 m-20 51.63 86.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 51.29 88.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -128.55 -57.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 136.28 4.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 83.29 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.74 135.19 10.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 p -110.15 142.7 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 18.3 p -124.99 155.59 70.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.0 145.86 85.1 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.03 -0.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.1 Cg_endo -75.01 78.38 2.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.48 1.779 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 171.11 -52.67 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.78 HD13 ' HG ' ' A' ' 96' ' ' LEU . 14.4 tp -44.5 -51.63 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -62.05 -33.44 74.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.118 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLY . 2.6 mt-10 -69.53 -60.09 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -53.96 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' LEU . 6.3 mt -61.56 -53.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -43.32 -39.24 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -69.05 -45.47 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 mt -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -85.48 -24.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -88.62 -27.21 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.2 -36.02 66.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 3.8 m-85 -82.79 169.61 15.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.61 119.24 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt 60.65 45.01 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 54' ' ' TYR . . . -98.69 148.34 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -165.59 124.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -137.09 165.76 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-85 -160.78 179.3 8.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.2 m -154.44 137.06 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.83 114.0 3.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.02 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.0 t 62.82 96.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.84 -104.51 0.96 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -117.36 -7.97 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.52 -87.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -159.17 27.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.51 HG21 ' HD3' ' A' ' 19' ' ' LYS . 16.7 mt -86.01 147.49 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.29 132.11 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mtt-85 -97.66 139.51 33.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.88 135.37 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.72 141.8 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 86' ' ' ALA . . . -148.88 159.77 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -164.31 135.08 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.303 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -138.5 156.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -52.57 -21.71 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.88 136.18 54.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 4.2 tt0 -55.45 -39.93 70.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -52.23 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.427 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -73.95 -35.69 64.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 79' ' ' GLN . . . -54.24 -29.85 48.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.43 -57.44 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -61.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 tp -50.75 -53.29 32.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -48.91 -59.12 3.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -50.6 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.3 mt-10 -41.71 -52.73 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 93' ' ' VAL . 43.4 t -57.64 -68.59 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 p -41.18 -48.6 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -60.53 -51.2 70.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 91' ' ' LEU . 23.1 mt -45.88 -63.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 89' ' ' VAL . 5.3 t -40.12 -39.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.527 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 2.6 t80 -60.46 -51.02 71.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.798 ' CG ' HD22 ' A' ' 96' ' ' LEU . 7.6 pt20 -73.38 -46.85 46.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.798 HD22 ' CG ' ' A' ' 95' ' ' GLN . 3.4 mm? -61.42 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.218 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.83 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.7 92.52 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 94' ' ' PHE . . . -93.37 140.06 14.88 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.833 ' CG2' ' HB2' ' A' ' 23' ' ' ALA . 5.8 pt -98.35 163.43 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 109.83 -129.86 9.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 5.8 pt-20 -117.29 104.14 10.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.317 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -40.8 156.29 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.24 40.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 21.6 pt20 -41.18 143.87 0.74 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' GLN . 18.2 Cg_endo -74.99 -164.86 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 m 52.89 174.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.58 -165.76 27.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 148.19 34.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 t -173.32 145.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -172.76 126.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -177.68 117.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.051 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 158.61 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.94 149.17 5.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.03 113.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.98 142.79 51.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.99 137.07 9.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.28 127.38 53.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.19 160.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 8.0 t80 -154.5 95.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t 66.68 122.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 -143.26 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.62 134.93 90.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.631 ' O ' HD12 ' A' ' 13' ' ' LEU . 18.0 Cg_endo -75.03 143.29 28.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -138.81 157.95 45.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 129.93 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB3' ' CD1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -122.09 152.03 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 90' ' ' SER . 2.4 mt -142.62 178.44 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.91 105.0 5.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -79.38 113.54 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -80.98 94.65 6.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 23' ' ' ALA . 2.6 m -86.8 -165.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.705 ' HB2' HG21 ' A' ' 100' ' ' ILE . . . -129.23 -53.87 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 49.99 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -113.56 115.11 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 58.24 82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 27' ' ' VAL . 75.4 t -117.67 73.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -126.33 148.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 44.63 77.1 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.7 p -64.68 168.05 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -41.56 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.89 160.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.05 92.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -43.79 156.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.76 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.541 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 74.7 -61.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 36' ' ' GLN . . . 73.46 -78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 p -152.27 -46.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.796 HG22 ' HD3' ' A' ' 41' ' ' PRO . 1.4 p -152.76 154.17 31.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.757 ' CG ' HD13 ' A' ' 43' ' ' LEU . 18.4 Cg_endo -75.02 146.86 87.78 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.006 0.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.796 ' HD3' HG22 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 55.22 3.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.57 95.68 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD13 ' CG ' ' A' ' 40' ' ' PRO . 2.7 tp -97.28 -65.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -29.13 64.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -71.27 -47.02 59.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.18 -61.83 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 51' ' ' VAL . 5.5 mt -51.72 -45.58 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -48.01 -27.04 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.63 -38.46 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -16.91 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 47' ' ' ILE . 72.0 t -86.27 -24.91 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -94.04 -19.45 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -75.81 -26.34 57.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -91.33 173.51 7.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.1 m -86.86 112.91 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 40.1 65.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.569 ' HB1' HD22 ' A' ' 85' ' ' LEU . . . -103.83 167.66 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.14 128.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -144.13 139.77 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.3 m-85 -135.15 -178.61 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 60' ' ' PHE . 1.8 m -156.02 137.03 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.58 123.78 3.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.58 158.02 40.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.08 -83.57 0.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -50.49 -50.98 51.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.66 152.3 22.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -110.3 34.6 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.72 150.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.62 104.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 8.3 ptt180 -73.19 122.94 22.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.163 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' A' ' 90' ' ' SER . 2.3 t -108.0 120.08 58.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 17' ' ' GLN . 11.3 t80 -124.73 127.15 46.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 86' ' ' ALA . . . -140.94 143.19 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.13 168.42 24.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 81' ' ' SER . . . -159.62 171.4 19.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -67.72 -12.6 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.43 137.24 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.957 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.72 -44.44 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -30.97 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -92.7 -44.75 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.4 -30.28 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.76 -47.89 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -49.74 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 13.5 tp -53.67 -40.32 65.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.625 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -62.37 -75.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 106' ' ' PRO . 26.6 t80 -43.68 -41.18 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.82 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 85' ' ' LEU . 37.3 t -39.39 -62.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 18' ' ' LEU . 1.2 p -46.33 -45.51 17.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD11 ' CZ ' ' A' ' 87' ' ' TYR . 7.7 mt -62.9 -51.65 66.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.643 HD23 ' N ' ' A' ' 92' ' ' LEU . 2.9 mt -47.5 -57.97 4.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 89' ' ' VAL . 13.0 t -45.81 -64.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -37.16 -33.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.057 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -84.21 -58.96 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.17 -63.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.51 -67.63 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 128.78 61.9 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.18 168.43 1.63 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.705 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.9 pt -129.94 156.71 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.25 -165.54 54.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 150.39 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.65 157.02 61.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.45 33.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -133.73 152.87 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.554 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 18.3 Cg_endo -74.98 85.36 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.41 155.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.29 155.91 21.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.33 10.06 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.7 t -163.35 59.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t 63.94 83.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 stop_ save_