data_2l79_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 2l79 _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 ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 75.53 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 20' ' ' ILE . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.45 110.877 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.842 0.353 . . . . 64.33 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 20' ' ' ILE . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.02 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.523 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.52 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.806 0.336 . . . . 74.32 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 20' ' ' ILE . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.45 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.838 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.774 0.321 . . . . 71.22 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.34 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.02 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 74.04 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.35 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.89 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 72.14 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.54 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 63.54 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.928 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.32 110.863 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 74.42 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 72.45 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.54 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.04 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 62.35 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.917 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 74.4 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD13 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.44 110.868 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.884 0.373 . . . . 72.11 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.54 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD13 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 65.45 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.885 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD22 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.922 0.392 . . . . 74.43 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 20' ' ' ILE . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.43 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD22 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 73.35 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.14 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.909 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.356 . . . . 75.34 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 20' ' ' ILE . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.4 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 72.33 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 53.34 110.801 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 64.21 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -55.15 -30.0 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 70.12 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -81.95 123.48 28.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.01 110.841 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -105.68 173.53 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -69.16 159.02 33.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 155.19 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.956 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.01 -37.01 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.924 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.17 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.931 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -67.64 157.81 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 74.43 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -175.35 114.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 75.51 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.7 mt -104.82 162.34 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.467 . . . . 74.01 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' HG21 ' A' ' 15' ' ' VAL . 11.9 mt-30 -48.15 -57.03 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 63.52 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.18 -32.43 9.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 70.42 112.498 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -48.19 -32.52 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 73.21 112.536 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 12' ' ' GLN . 33.0 m -48.38 -31.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 71.34 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -48.21 -33.26 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.851 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 14' ' ' GLY . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -48.21 -55.9 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.45 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.8 74.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.05 111.092 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -59.38 -22.3 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.13 111.129 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -79.48 -11.92 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.9 tp -174.1 81.88 0.36 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.45 111.091 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -178.7 2.48 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 74.21 112.338 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -100.0 28.02 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.863 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -172.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.927 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 125.19 38.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.948 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.94 151.23 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.919 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -126.16 -69.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 53.21 110.93 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.486 HD11 ' OXT' ' A' ' 39' ' ' TYR . 5.4 pt -107.42 149.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.03 111.062 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.28 -36.43 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' OXT' HD11 ' A' ' 37' ' ' ILE . 76.5 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.908 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 71.52 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -134.68 127.46 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 75.21 111.118 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 58.01 42.88 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.874 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -110.75 -46.35 3.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.885 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -87.26 123.4 32.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HE3' HD22 ' A' ' 11' ' ' LEU . 1.4 mppt? -133.67 179.88 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.887 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -78.28 -62.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -55.66 165.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -60.31 -58.61 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 63.32 110.858 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.64 146.59 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.865 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD22 ' HE3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -119.02 26.0 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.892 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.581 ' O ' HG21 ' A' ' 15' ' ' VAL . 20.5 mm-40 -48.14 -56.26 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.964 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.5 9.47 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 74.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.31 -31.8 9.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 72.44 112.448 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.03 -34.38 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 65.51 111.134 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -32.51 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 64.33 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.02 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 70.44 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.523 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.52 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -32.03 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.846 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.16 31.38 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -22.36 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 74.51 111.111 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -11.79 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.926 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 30' ' ' ILE . 4.5 tt -168.38 78.14 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 62.54 111.021 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 136.81 34.16 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.7 2.267 . . . . 74.4 112.421 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -125.27 28.05 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 63.35 110.832 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -105.4 -169.31 1.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.939 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 139.99 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 74.52 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -108.67 -50.14 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.07 -27.71 61.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 71.01 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 37' ' ' ILE . 9.7 mm -98.66 30.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.8 mmm -63.24 -16.35 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.911 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.965 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.469 -0.252 . . . . 63.21 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.7 pt -107.95 -25.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 73.01 111.172 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -103.24 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.41 110.846 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.99 154.5 6.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.938 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.89 138.12 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 70.24 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -174.85 149.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.959 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.92 74.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -113.63 84.67 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.884 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -89.89 -67.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.821 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.39 -26.36 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.913 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.17 -174.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 62.25 110.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.585 ' O ' HG21 ' A' ' 15' ' ' VAL . 5.1 pt20 -48.16 -36.77 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.21 -32.29 9.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 73.43 112.494 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 17' ' ' VAL . . . -48.2 -32.13 9.31 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 75.43 112.514 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG21 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.29 -32.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 65.3 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -33.25 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 14' ' ' GLY . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 65.33 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.45 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.52 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -48.31 -33.34 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 -40.45 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 15.45 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 30' ' ' ILE . 27.1 p -67.26 -20.68 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 72.43 111.173 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 39.83 34.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.941 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 28' ' ' THR . 4.7 tt -145.34 76.71 13.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.73 . . . . 73.13 111.097 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -171.21 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 72.34 112.378 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.0 p -124.63 26.68 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.2 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -52.32 -39.45 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 73.51 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt 45.48 83.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -76.75 -26.67 54.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.902 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.01 -30.48 70.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.04 110.874 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.33 128.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.142 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.1 mtm -91.7 -26.49 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.902 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.952 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.516 -0.234 . . . . 75.11 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -95.02 137.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 74.52 111.113 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -152.28 150.5 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.02 110.814 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 88.74 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 75.41 110.902 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -151.48 146.05 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 128.71 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.871 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -110.59 159.31 17.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 65.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 111.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 73.51 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -140.27 171.39 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.55 110.877 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.42 134.0 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 75.41 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -81.98 -41.4 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.928 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' N ' HD13 ' A' ' 11' ' ' LEU . 50.5 mt-30 -48.25 -56.26 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.861 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.3 -54.71 11.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 70.54 112.461 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 39.62 34.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 45.32 112.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.47 -31.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 75.4 111.142 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.12 -32.61 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 75.34 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.02 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 74.04 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 70.35 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -48.25 -35.84 12.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.61 -35.31 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 60.13 111.066 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -67.37 -22.93 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 54.34 111.133 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -3.04 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 mt 64.66 74.89 0.39 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 74.44 111.066 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.99 34.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 72.03 112.318 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -124.45 26.99 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.838 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -80.18 -170.02 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 64.99 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 64.32 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -63.53 -70.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.921 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -123.52 -66.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.978 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 pt -110.41 -178.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.13 111.144 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.1 ptp -98.87 -36.33 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.889 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.961 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 112.496 -0.241 . . . . 71.15 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.1 tp -83.87 136.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 60.23 111.165 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -114.9 49.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.35 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 55.07 46.53 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.81 111.34 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.903 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -67.92 -173.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 59.79 40.46 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 74.45 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -73.64 173.27 9.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.913 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -89.74 126.7 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 52.05 110.845 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 164.12 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 74.23 110.87 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.6 167.36 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.955 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HG21 ' A' ' 15' ' ' VAL . 15.5 pt20 -48.16 -34.32 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.876 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.34 9.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 64.43 112.45 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.07 -33.04 9.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 44.43 112.538 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG21 ' O ' ' A' ' 12' ' ' GLN . 35.1 m -48.17 -33.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 64.35 111.136 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp -48.37 -57.12 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 72.14 110.941 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.54 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 63.54 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 28' ' ' THR . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.928 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -48.26 -33.91 9.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.32 110.863 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' ' OE1' ' A' ' 29' ' ' GLN . . . -83.26 -53.1 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.08 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 25' ' ' LYS . 1.1 p 38.96 34.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.146 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 1.4 pm0 -70.29 -11.75 61.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 74.43 110.965 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -135.04 71.95 68.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 75.32 111.115 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.1 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.67 2.247 . . . . 74.23 112.375 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.88 27.07 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 53.21 110.817 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.33 -38.61 42.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt 45.59 84.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.15 110.883 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.65 -74.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 73.02 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -87.65 -34.16 18.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 75.05 110.89 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.15 128.49 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 53.2 111.151 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.46 -26.27 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.843 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 73.41 110.952 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 64.12 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.9 mt -71.56 104.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 72.34 111.1 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -143.47 135.07 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.803 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 159.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 73.03 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -108.01 57.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -124.47 174.64 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -118.17 143.15 46.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -120.93 57.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.833 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 56.06 37.45 28.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 12' ' ' GLN . 4.2 pp -108.96 -36.6 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.904 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 11' ' ' LEU . 11.0 mt-30 -48.21 -42.16 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.23 -56.96 8.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 73.13 112.487 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 39.6 34.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 71.52 112.526 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -48.66 -31.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 75.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.27 -33.54 8.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 72.45 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.54 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.6 HG21 ' HE3' ' A' ' 38' ' ' MET . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.04 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 62.35 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -49.17 -26.12 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.64 32.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 74.02 111.068 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 m -55.93 -23.03 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.117 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.74 -11.91 60.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mm 60.24 68.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 73.43 111.124 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.83 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 74.35 112.367 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -98.6 26.92 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.941 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.4 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 73.31 110.906 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -42.81 99.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.55 -72.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 73.35 110.944 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG23 ' OXT' ' A' ' 39' ' ' TYR . 50.4 mm -53.75 133.71 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 60.13 111.201 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.6 ' HE3' HG21 ' A' ' 20' ' ' ILE . 7.6 ttt -87.88 -53.72 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.903 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' OXT' HG23 ' A' ' 37' ' ' ILE . 59.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.483 -0.247 . . . . 63.5 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 pt -112.9 -27.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 75.24 111.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.57 155.7 29.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.85 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -132.42 175.39 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 61.31 110.914 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -119.95 113.42 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.987 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -124.32 38.06 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.15 110.848 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -119.15 179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -99.48 26.18 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 70.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p 54.11 30.47 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 55.33 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -104.86 -29.69 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.25 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.01 -48.25 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.964 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' O ' HG21 ' A' ' 15' ' ' VAL . 16.2 mt-30 39.7 34.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.17 -32.33 9.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 54.34 112.464 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.31 9.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 65.03 112.437 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG21 ' O ' ' A' ' 12' ' ' GLN . 35.8 m -48.0 -34.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 73.2 111.163 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.13 -55.95 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.945 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD13 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -49.77 -31.84 12.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 74.44 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.21 31.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 70.14 111.166 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m 39.45 34.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -11.34 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.8 mt 64.9 75.3 0.36 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 72.1 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 159.21 54.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 71.41 112.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -108.12 26.82 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.802 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -60.07 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 70.33 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 62.67 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.881 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -74.89 -26.04 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.55 110.942 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD13 HG12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -53.59 -43.35 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.895 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.731 HG12 HD13 ' A' ' 36' ' ' LEU . 44.3 mm -129.25 134.27 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.15 111.162 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.0 mtt -80.04 -39.54 29.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.877 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.877 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 73.11 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -70.96 -27.32 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.25 111.13 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -127.01 27.38 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.912 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -168.93 135.79 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -116.46 168.05 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.03 110.862 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 177.01 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -93.55 -33.09 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.878 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -82.46 65.79 7.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.891 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.8 -58.31 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 61.21 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -171.1 128.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 72.14 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.24 158.65 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' O ' HG21 ' A' ' 15' ' ' VAL . 3.3 mp0 -48.22 -53.81 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -48.23 -32.42 9.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 75.4 112.46 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.28 -32.5 9.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 73.02 112.48 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 12' ' ' GLN . 34.3 m -48.12 -33.78 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 70.31 111.212 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 13' ' ' GLY . 9.5 mp -48.27 -33.58 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.948 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.54 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD13 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 65.45 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -49.53 -32.14 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.24 110.885 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' ' 30' ' ' ILE . . . -86.19 31.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 65.24 111.077 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -22.03 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.209 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -11.89 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 65.4 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG13 ' HB1' ' A' ' 27' ' ' ALA . 8.1 pt -145.18 69.48 14.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 72.14 111.198 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.05 69.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 71.33 112.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -124.83 29.75 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.822 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -61.99 -174.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.941 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HE2' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.02 134.91 34.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 73.14 110.897 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -109.09 25.62 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 65.41 110.908 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.85 HD13 HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -93.35 -19.27 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.922 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.85 HG22 HD13 ' A' ' 36' ' ' LEU . 2.7 pp -119.8 158.35 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.133 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.514 ' O ' ' OXT' ' A' ' 39' ' ' TYR . 14.0 mtt -86.13 -54.37 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.902 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' OXT' ' O ' ' A' ' 38' ' ' MET . 42.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.978 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.539 -0.224 . . . . 60.25 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.1 mm -95.58 118.49 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 74.05 111.153 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -105.09 117.03 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.948 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.14 161.44 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.93 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.21 -59.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.61 -39.5 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.87 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -134.74 -71.53 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 74.12 110.909 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -139.8 156.24 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.931 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -167.81 167.18 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 59.62 46.03 12.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.84 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.67 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' O ' HG21 ' A' ' 15' ' ' VAL . 3.5 mp0 -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.95 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.16 -32.31 9.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 63.43 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -48.31 -33.76 11.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 63.35 112.464 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 12' ' ' GLN . 30.9 m -48.35 -31.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 63.04 111.15 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD22 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt -48.16 -33.47 8.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 14' ' ' GLY . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.43 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD22 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 73.35 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.14 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -48.22 -37.84 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.0 -48.62 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -58.87 -22.34 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.131 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -79.28 -11.78 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.963 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.7 mt 64.04 71.34 0.6 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 71.33 111.076 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 72.34 112.358 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -112.11 -33.53 6.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 62.51 110.828 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -69.96 -171.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.2 110.973 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HE3' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -120.82 129.56 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.95 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 26.04 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.1 110.882 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD22 ' HZ2' ' A' ' 34' ' ' LYS . 1.7 pp -73.07 -27.48 61.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.981 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD12 ' HE3' ' A' ' 34' ' ' LYS . 50.9 mm -57.13 136.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.147 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 mtt -95.18 -51.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 72.32 110.859 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 75.34 110.924 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.511 -0.235 . . . . 73.23 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.43 HD11 ' H ' ' A' ' 2' ' ' ILE . 5.0 mp -84.94 -48.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 74.53 111.144 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.88 138.39 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.845 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 135.6 37.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -66.76 122.91 18.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.24 110.893 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -162.11 156.5 22.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -118.53 28.36 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -118.41 66.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.883 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.4 71.46 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.87 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -104.59 -27.36 11.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 75.04 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -52.32 165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' O ' HG21 ' A' ' 15' ' ' VAL . 30.1 mt-30 -48.26 -56.8 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.47 9.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.457 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -48.18 -33.56 11.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.806 -0.711 . . . . 73.15 112.44 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 12' ' ' GLN . 32.8 m -48.3 -31.98 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 74.15 111.094 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.07 -33.61 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.34 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 14' ' ' GLY . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.4 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 72.33 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -48.37 -56.17 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 53.34 110.801 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.23 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.082 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.59 34.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 75.44 111.103 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -5.83 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 70.4 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 mp 64.31 73.91 0.44 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.697 0.76 . . . . 71.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 77.88 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 71.13 112.346 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -74.49 -24.91 59.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.02 110.826 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.954 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -30.26 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 75.03 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.95 175.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.931 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -129.57 -68.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 pt -66.27 -176.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.129 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.8 mtm -79.87 -42.42 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.955 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 70.11 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 20' ' ' ILE . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.34 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.51 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.45 110.877 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.842 0.353 . . . . 63.42 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' ILE . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 61.23 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 62.42 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.52 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.806 0.336 . . . . 74.32 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 42.45 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.45 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 70.11 110.838 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.774 0.321 . . . . 71.22 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.02 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 44.34 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.04 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.89 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 72.14 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.54 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 73.01 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 53.12 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 70.44 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 44.51 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.928 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.32 110.863 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 74.42 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 61.11 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.54 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 65.11 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.04 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.917 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 74.4 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 53.51 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 70.43 110.868 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.884 0.373 . . . . 53.53 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.54 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD12 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 61.01 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.885 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.922 0.392 . . . . 72.01 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.43 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.14 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 64.12 110.909 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.356 . . . . 74.52 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 20' ' ' ILE . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 60.12 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.4 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 63.23 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 52.14 110.801 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 64.21 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -55.15 -30.0 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 70.12 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -81.95 123.48 28.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.01 110.841 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -105.68 173.53 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -69.16 159.02 33.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 155.19 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.956 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.01 -37.01 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 73.31 110.924 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.17 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.931 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -67.64 157.81 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 52.05 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -175.35 114.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.01 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.7 mt -104.82 162.34 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.467 . . . . 74.01 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' O ' HG22 ' A' ' 15' ' ' VAL . 11.9 mt-30 -48.15 -57.03 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.22 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.18 -32.43 9.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 41.42 112.498 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.19 -32.52 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 70.53 112.536 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 12' ' ' GLN . 33.0 m -48.38 -31.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 71.34 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -48.21 -33.26 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.851 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 14' ' ' GLY . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.44 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.43 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.14 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.34 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.51 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -48.21 -55.9 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.45 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.8 74.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.05 111.092 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -59.38 -22.3 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.13 111.129 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -79.48 -11.92 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.9 tp -174.1 81.88 0.36 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 62.2 111.091 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -178.7 2.48 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 64.53 112.338 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -100.0 28.02 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 70.33 110.863 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -172.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.927 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 125.19 38.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.948 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.94 151.23 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.919 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -126.16 -69.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 53.21 110.93 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' OXT' ' A' ' 39' ' ' TYR . 5.4 pt -107.42 149.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.03 111.062 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.28 -36.43 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.24 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' OXT' HD12 ' A' ' 37' ' ' ILE . 76.5 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.908 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 32.53 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -134.68 127.46 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 54.54 111.118 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 58.01 42.88 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 44.34 110.874 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -110.75 -46.35 3.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.885 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -87.26 123.4 32.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 11' ' ' LEU . 1.4 mppt? -133.67 179.88 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.887 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -78.28 -62.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -55.66 165.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -60.31 -58.61 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 63.32 110.858 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.64 146.59 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.22 110.865 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -119.02 26.0 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.892 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 20.5 mm-40 -48.14 -56.26 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.964 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.5 9.47 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 74.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.31 -31.8 9.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 72.44 112.448 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.03 -34.38 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 65.51 111.134 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -32.51 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 63.42 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 61.23 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.44 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 62.42 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.52 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.33 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -32.03 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.846 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.16 31.38 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -22.36 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 74.51 111.111 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -11.79 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.54 110.926 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' ILE . 4.5 tt -168.38 78.14 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 62.54 111.021 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 136.81 34.16 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.7 2.267 . . . . 65.13 112.421 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -125.27 28.05 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 63.21 110.832 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -105.4 -169.31 1.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.939 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 139.99 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 74.52 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -108.67 -50.14 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.07 -27.71 61.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 71.01 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 37' ' ' ILE . 9.7 mm -98.66 30.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.14 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.8 mmm -63.24 -16.35 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.911 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.965 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.469 -0.252 . . . . 63.21 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.7 pt -107.95 -25.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 73.01 111.172 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -103.24 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.846 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.99 154.5 6.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 73.51 110.938 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.89 138.12 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 70.24 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -174.85 149.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.959 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.92 74.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -113.63 84.67 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.884 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -89.89 -67.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.821 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.39 -26.36 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.913 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.17 -174.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 62.25 110.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' VAL . 5.1 pt20 -48.16 -36.77 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.41 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.21 -32.29 9.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 52.41 112.494 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -48.2 -32.13 9.31 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 75.43 112.514 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.29 -32.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 62.02 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -33.25 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 14' ' ' GLY . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 42.45 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.45 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 53.54 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 63.54 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -48.31 -33.34 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 70.11 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 -40.45 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 15.45 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 30' ' ' ILE . 27.1 p -67.26 -20.68 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 72.43 111.173 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 39.83 34.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.941 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 28' ' ' THR . 4.7 tt -145.34 76.71 13.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.73 . . . . 73.13 111.097 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -171.21 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 72.34 112.378 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.0 p -124.63 26.68 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 61.23 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -52.32 -39.45 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 62.3 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt 45.48 83.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 74.13 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -76.75 -26.67 54.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.902 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.01 -30.48 70.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.04 110.874 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.33 128.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.142 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.1 mtm -91.7 -26.49 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.14 110.902 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.952 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.516 -0.234 . . . . 75.11 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -95.02 137.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 74.13 111.113 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -152.28 150.5 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.02 110.814 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 88.74 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.902 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -151.48 146.05 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 128.71 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.871 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -110.59 159.31 17.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 65.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 111.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 64.54 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -140.27 171.39 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.55 110.877 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.42 134.0 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 75.41 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -81.98 -41.4 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.928 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 50.5 mt-30 -48.25 -56.26 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.861 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.3 -54.71 11.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 70.54 112.461 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 17' ' ' VAL . . . 39.62 34.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 45.32 112.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.47 -31.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 75.4 111.142 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.12 -32.61 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 64.53 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.02 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 44.34 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.45 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.04 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -48.25 -35.84 12.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.44 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.61 -35.31 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.12 111.066 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -67.37 -22.93 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 54.34 111.133 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -3.04 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 mt 64.66 74.89 0.39 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 74.44 111.066 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.99 34.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 40.4 112.318 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -124.45 26.99 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.838 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -80.18 -170.02 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 64.99 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 64.32 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -63.53 -70.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.05 110.921 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -123.52 -66.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.978 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 pt -110.41 -178.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.13 111.144 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.1 ptp -98.87 -36.33 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.889 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.961 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 112.496 -0.241 . . . . 64.32 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.1 tp -83.87 136.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 60.23 111.165 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -114.9 49.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.35 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 55.07 46.53 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 62.03 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.81 111.34 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.903 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -67.92 -173.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 59.79 40.46 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 74.45 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -73.64 173.27 9.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.913 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -89.74 126.7 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 52.05 110.845 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 164.12 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 64.23 110.87 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.6 167.36 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 52.21 110.955 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.5 pt20 -48.16 -34.32 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.876 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.34 9.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 64.43 112.45 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.07 -33.04 9.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 44.43 112.538 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.1 m -48.17 -33.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 64.35 111.136 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp -48.37 -57.12 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 72.14 110.941 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.33 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.54 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 73.01 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 53.12 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 70.44 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 44.51 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 28' ' ' THR . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.928 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -48.26 -33.91 9.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.32 110.863 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' ' OE1' ' A' ' 29' ' ' GLN . . . -83.26 -53.1 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.08 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 25' ' ' LYS . 1.1 p 38.96 34.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.1 111.146 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 1.4 pm0 -70.29 -11.75 61.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 52.44 110.965 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -135.04 71.95 68.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 75.32 111.115 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.1 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.67 2.247 . . . . 74.23 112.375 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.88 27.07 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 53.21 110.817 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.33 -38.61 42.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt 45.59 84.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.15 110.883 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.65 -74.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 72.1 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -87.65 -34.16 18.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 75.05 110.89 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.15 128.49 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 53.2 111.151 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.46 -26.27 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.843 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 73.41 110.952 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 51.42 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.9 mt -71.56 104.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 63.34 111.1 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -143.47 135.07 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.803 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 159.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -108.01 57.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 55.44 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -124.47 174.64 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 73.04 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -118.17 143.15 46.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -120.93 57.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.833 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 56.06 37.45 28.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 12' ' ' GLN . 4.2 pp -108.96 -36.6 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 52.25 110.904 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 mt-30 -48.21 -42.16 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.23 -56.96 8.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 71.15 112.487 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' O ' HG12 ' A' ' 17' ' ' VAL . . . 39.6 34.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 51.34 112.526 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -48.66 -31.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 75.33 111.142 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.27 -33.54 8.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.44 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 61.11 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.54 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 65.11 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.04 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -49.17 -26.12 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.64 32.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 74.02 111.068 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 m -55.93 -23.03 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 70.25 111.117 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.74 -11.91 60.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mm 60.24 68.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 73.43 111.124 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.83 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 62.41 112.367 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -98.6 26.92 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.472 . . . . 70.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.4 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 73.13 110.906 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -42.81 99.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.55 -72.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.944 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG22 ' OXT' ' A' ' 39' ' ' TYR . 50.4 mm -53.75 133.71 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 52.11 111.201 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.6 ttt -87.88 -53.72 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.903 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' OXT' HG22 ' A' ' 37' ' ' ILE . 59.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.483 -0.247 . . . . 51.35 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 pt -112.9 -27.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 72.03 111.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.57 155.7 29.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.85 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -132.42 175.39 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 45.23 110.914 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -119.95 113.42 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.987 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -124.32 38.06 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.15 110.848 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -119.15 179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -99.48 26.18 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 70.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p 54.11 30.47 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 55.33 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -104.86 -29.69 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.25 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.01 -48.25 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.964 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 15' ' ' VAL . 16.2 mt-30 39.7 34.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.17 -32.33 9.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 54.34 112.464 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.31 9.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 44.25 112.437 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.8 m -48.0 -34.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 73.2 111.163 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.13 -55.95 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.945 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.15 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 53.51 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.45 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.53 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -49.77 -31.84 12.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 70.43 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.21 31.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 70.14 111.166 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m 39.45 34.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -11.34 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.8 mt 64.9 75.3 0.36 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 53.31 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 159.21 54.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 71.41 112.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -108.12 26.82 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.802 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -60.07 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 70.33 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 62.67 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.881 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -74.89 -26.04 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.55 110.942 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.746 HD12 HG12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -53.59 -43.35 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.43 110.895 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.746 HG12 HD12 ' A' ' 36' ' ' LEU . 44.3 mm -129.25 134.27 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.15 111.162 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.0 mtt -80.04 -39.54 29.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 61.02 110.877 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.877 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 62.41 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -70.96 -27.32 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.25 111.13 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -127.01 27.38 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.912 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -168.93 135.79 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -116.46 168.05 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.03 110.862 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 177.01 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -93.55 -33.09 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.878 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -82.46 65.79 7.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 53.42 110.891 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.8 -58.31 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 52.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -171.1 128.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 71.44 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.24 158.65 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 50.31 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.3 mp0 -48.22 -53.81 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.01 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 16' ' ' LEU . . . -48.23 -32.42 9.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 75.4 112.46 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.28 -32.5 9.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 73.02 112.48 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 12' ' ' GLN . 34.3 m -48.12 -33.78 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 70.31 111.212 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 13' ' ' GLY . 9.5 mp -48.27 -33.58 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 53.53 110.948 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.54 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD12 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 61.01 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -49.53 -32.14 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 60.11 110.885 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB1' HG13 ' A' ' 30' ' ' ILE . . . -86.19 31.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 65.24 111.077 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -22.03 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 60.23 111.209 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -11.89 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.21 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' HB1' ' A' ' 27' ' ' ALA . 8.1 pt -145.18 69.48 14.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 72.14 111.198 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.05 69.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 71.33 112.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -124.83 29.75 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.822 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -61.99 -174.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.33 110.941 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.02 134.91 34.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 73.14 110.897 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -109.09 25.62 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 65.41 110.908 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.849 HD12 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -93.35 -19.27 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.922 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.849 HG23 HD12 ' A' ' 36' ' ' LEU . 2.7 pp -119.8 158.35 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.133 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.514 ' O ' ' OXT' ' A' ' 39' ' ' TYR . 14.0 mtt -86.13 -54.37 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 52.42 110.902 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' OXT' ' O ' ' A' ' 38' ' ' MET . 42.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.978 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.539 -0.224 . . . . 60.25 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.1 mm -95.58 118.49 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 72.02 111.153 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -105.09 117.03 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.948 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.14 161.44 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.93 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.21 -59.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.61 -39.5 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 62.33 110.87 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -134.74 -71.53 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 74.12 110.909 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -139.8 156.24 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 71.34 110.931 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -167.81 167.18 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 59.62 46.03 12.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.84 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.67 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 72.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.5 mp0 -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.95 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.16 -32.31 9.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 62.31 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.31 -33.76 11.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 45.44 112.464 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' GLN . 30.9 m -48.35 -31.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 63.04 111.15 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt -48.16 -33.47 8.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 72.01 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 14' ' ' GLY . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.2 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.43 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.53 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.11 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.14 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -48.22 -37.84 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 64.12 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.0 -48.62 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -58.87 -22.34 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.131 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -79.28 -11.78 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.963 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.7 mt 64.04 71.34 0.6 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 64.14 111.076 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 55.4 112.358 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -112.11 -33.53 6.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 62.51 110.828 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -69.96 -171.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.2 110.973 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -120.82 129.56 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.95 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 26.04 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 64.42 110.882 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD21 ' NZ ' ' A' ' 34' ' ' LYS . 1.7 pp -73.07 -27.48 61.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.981 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.439 HD11 ' HE3' ' A' ' 34' ' ' LYS . 50.9 mm -57.13 136.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.147 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 mtt -95.18 -51.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 72.32 110.859 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 64.14 110.924 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.511 -0.235 . . . . 72.05 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -84.94 -48.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 74.53 111.144 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.88 138.39 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 71.43 110.845 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 135.6 37.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -66.76 122.91 18.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.24 110.893 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -162.11 156.5 22.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 65.3 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -118.53 28.36 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -118.41 66.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.883 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.4 71.46 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.31 110.87 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -104.59 -27.36 11.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 73.22 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -52.32 165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.1 mt-30 -48.26 -56.8 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.47 9.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.457 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.18 -33.56 11.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.806 -0.711 . . . . 72.42 112.44 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 12' ' ' GLN . 32.8 m -48.3 -31.98 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 74.15 111.094 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.07 -33.61 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLY . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 60.12 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.4 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 63.23 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.24 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.31 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -48.37 -56.17 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 52.14 110.801 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.23 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.082 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.59 34.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 53.03 111.103 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -5.83 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 70.4 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 mp 64.31 73.91 0.44 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.697 0.76 . . . . 62.53 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 77.88 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 70.43 112.346 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -74.49 -24.91 59.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.02 110.826 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.954 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -30.26 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 70.15 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.95 175.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 60.52 110.931 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -129.57 -68.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.13 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 pt -66.27 -176.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.129 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.8 mtm -79.87 -42.42 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 72.2 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.955 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.87 0.367 . . . . 70.109999999999999 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 20' ' ' ILE . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.439999999999998 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.140000000000001 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.340000000000003 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.509999999999998 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.349999999999994 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.450000000000003 110.877 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.842 0.353 . . . . 63.420000000000002 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 20' ' ' ILE . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 61.229999999999997 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 62.420000000000002 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.519999999999996 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.329999999999998 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.806 0.336 . . . . 74.319999999999993 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.540000000000006 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.450000000000003 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.520000000000003 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.409999999999997 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 53.539999999999999 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 63.539999999999999 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.838 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.774 0.321 . . . . 71.219999999999999 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 64.530000000000001 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.019999999999996 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 44.340000000000003 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.450000000000003 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.520000000000003 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.040000000000006 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.89 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 72.140000000000001 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.540000000000006 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.420000000000002 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 73.010000000000005 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 53.119999999999997 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 70.439999999999998 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 44.509999999999998 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.349999999999994 110.928 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.319999999999993 110.863 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 74.420000000000002 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 61.109999999999999 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.539999999999999 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 65.109999999999999 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.039999999999999 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.230000000000004 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 53.219999999999999 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.519999999999996 110.917 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.892 0.377 . . . . 74.400000000000006 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.150000000000006 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 53.509999999999998 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.430000000000007 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.530000000000001 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 70.430000000000007 110.868 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.884 0.373 . . . . 53.530000000000001 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.340000000000003 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.329999999999998 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.340000000000003 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.540000000000006 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD12 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.049999999999997 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 61.009999999999998 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 60.109999999999999 110.885 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.922 0.392 . . . . 72.010000000000005 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.430000000000007 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.530000000000001 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.109999999999999 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 72.420000000000002 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.109999999999999 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.140000000000001 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.299999999999997 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 64.120000000000005 110.909 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 20' ' ' ILE . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 60.119999999999997 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.400000000000006 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 63.229999999999997 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.239999999999995 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.310000000000002 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 52.140000000000001 110.801 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.456 -0.258 . . . . 64.209999999999994 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -55.15 -30.0 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 70.120000000000005 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -81.95 123.48 28.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.010000000000005 110.841 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -105.68 173.53 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.856 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -69.16 159.02 33.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 155.19 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 73.319999999999993 110.956 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -120.01 -37.01 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 73.310000000000002 110.924 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.17 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.931 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -67.64 157.81 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 52.049999999999997 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -175.35 114.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.7 mt -104.82 162.34 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.467 . . . . 74.010000000000005 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' O ' HG22 ' A' ' 15' ' ' VAL . 11.9 mt-30 -48.15 -57.03 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.219999999999999 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.18 -32.43 9.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 41.420000000000002 112.498 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.19 -32.52 9.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 70.530000000000001 112.536 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 12' ' ' GLN . 33.0 m -48.38 -31.81 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 71.340000000000003 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -48.21 -33.26 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 70.109999999999999 110.851 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 14' ' ' GLY . 32.8 m -48.18 -32.95 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.439999999999998 111.137 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -48.7 -33.11 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.923 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -48.29 -26.96 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 74.140000000000001 110.886 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.11 -41.11 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.140000000000001 111.093 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -44.82 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.21 -65.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 61.340000000000003 110.944 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -40.0 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 63.509999999999998 110.905 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -30.95 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 71.349999999999994 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -48.23 -48.66 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -48.21 -55.9 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 72.450000000000003 110.877 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.8 74.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.049999999999997 111.092 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -59.38 -22.3 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.129999999999995 111.129 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -79.48 -11.92 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 75.329999999999998 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.9 tp -174.1 81.88 0.36 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 62.200000000000003 111.091 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -178.7 2.48 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 64.530000000000001 112.338 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -100.0 28.02 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 70.329999999999998 110.863 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -172.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 74.230000000000004 110.927 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 125.19 38.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.150000000000006 110.948 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.94 151.23 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 71.209999999999994 110.919 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -126.16 -69.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 53.210000000000001 110.93 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' OXT' ' A' ' 39' ' ' TYR . 5.4 pt -107.42 149.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 75.030000000000001 111.062 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.28 -36.43 8.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.240000000000002 110.844 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' OXT' HD12 ' A' ' 37' ' ' ILE . 76.5 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 73.109999999999999 110.908 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 32.530000000000001 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -134.68 127.46 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 54.539999999999999 111.118 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 58.01 42.88 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 44.340000000000003 110.874 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -110.75 -46.35 3.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 110.885 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -87.26 123.4 32.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 11' ' ' LEU . 1.4 mppt? -133.67 179.88 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 75.349999999999994 110.887 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -78.28 -62.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -55.66 165.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -60.31 -58.61 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 63.32 110.858 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -159.64 146.59 16.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.219999999999999 110.865 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.485 HD21 ' HE3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -119.02 26.0 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.892 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . 20.5 mm-40 -48.14 -56.26 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 110.964 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.5 9.47 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.779 -0.725 . . . . 74.140000000000001 112.5 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.31 -31.8 9.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 72.439999999999998 112.448 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.03 -34.38 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 65.510000000000005 111.134 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.23 -32.51 7.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 63.420000000000002 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 14' ' ' GLY . 78.4 t -48.17 -34.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 61.229999999999997 111.118 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -32.6 8.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.91 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.41 -26.96 2.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.807 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.09 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.439999999999998 111.172 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.03 -44.83 51.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 62.420000000000002 110.902 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.1 -65.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 65.519999999999996 110.894 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -40.13 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -30.79 15.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 63.329999999999998 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -48.64 -33.06 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.938 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -32.03 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 64.420000000000002 110.846 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.16 31.38 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 111.148 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -22.36 63.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 74.510000000000005 111.111 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -11.79 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 110.926 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' ILE . 4.5 tt -168.38 78.14 0.82 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 62.539999999999999 111.021 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 136.81 34.16 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.7 2.267 . . . . 65.129999999999995 112.421 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -125.27 28.05 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 63.210000000000001 110.832 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -105.4 -169.31 1.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.939 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.43 139.99 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 74.519999999999996 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -108.67 -50.14 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 110.882 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.4 tp -73.07 -27.71 61.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 71.010000000000005 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' O ' HG22 ' A' ' 37' ' ' ILE . 9.7 mm -98.66 30.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.140000000000001 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.8 mmm -63.24 -16.35 59.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.519999999999996 110.911 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 74.540000000000006 110.965 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.469 -0.252 . . . . 63.210000000000001 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.7 pt -107.95 -25.4 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.905 0.383 . . . . 73.010000000000005 111.172 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -103.24 119.28 38.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 53.210000000000001 110.846 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.99 154.5 6.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 73.510000000000005 110.938 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.89 138.12 53.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 70.239999999999995 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -174.85 149.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.519999999999996 110.959 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.92 74.74 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.91 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -113.63 84.67 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.349999999999994 110.884 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -89.89 -67.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.530000000000001 110.821 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.39 -26.36 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.913 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.17 -174.72 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 62.25 110.958 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' VAL . 5.1 pt20 -48.16 -36.77 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.21 -32.29 9.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 52.409999999999997 112.494 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.564 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -48.2 -32.13 9.31 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.739 . . . . 75.430000000000007 112.514 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.7 m -48.29 -32.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 62.020000000000003 111.143 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -33.25 8.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.934 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 14' ' ' GLY . 14.7 p -48.25 -32.92 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.540000000000006 111.137 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -48.82 -32.93 9.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 110.872 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.46 -26.77 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 62.32 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.07 -41.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 63.450000000000003 111.112 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.13 -44.73 52.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.941 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.23 -65.88 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 63.520000000000003 110.916 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -40.01 60.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 74.409999999999997 110.874 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -30.85 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 53.539999999999999 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -48.24 -33.67 9.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 63.539999999999999 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -48.31 -33.34 8.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.838 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 -40.45 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 15.449999999999999 111.078 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.62 ' O ' HG22 ' A' ' 30' ' ' ILE . 27.1 p -67.26 -20.68 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 72.430000000000007 111.173 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 39.83 34.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.510000000000005 110.941 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 28' ' ' THR . 4.7 tt -145.34 76.71 13.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.73 . . . . 73.129999999999995 111.097 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -171.21 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.277 . . . . 72.340000000000003 112.378 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.0 p -124.63 26.68 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 61.229999999999997 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -52.32 -39.45 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 62.299999999999997 110.885 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt 45.48 83.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 74.129999999999995 110.886 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -76.75 -26.67 54.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 110.902 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.01 -30.48 70.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 110.874 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.33 128.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 111.142 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.1 mtm -91.7 -26.49 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 62.140000000000001 110.902 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.420000000000002 110.952 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.516 -0.234 . . . . 75.109999999999999 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -95.02 137.16 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 74.129999999999995 111.113 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -152.28 150.5 29.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.019999999999996 110.814 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 88.74 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.019999999999996 110.902 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -151.48 146.05 25.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 128.71 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.871 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -110.59 159.31 17.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 65.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 111.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 64.540000000000006 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -140.27 171.39 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.549999999999997 110.877 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -79.42 134.0 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 75.409999999999997 110.858 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 12' ' ' GLN . 3.7 pp -81.98 -41.4 20.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.928 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 50.5 mt-30 -48.25 -56.26 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 110.861 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.3 -54.71 11.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 70.540000000000006 112.461 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 17' ' ' VAL . . . 39.62 34.09 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 45.32 112.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.47 -31.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 75.400000000000006 111.142 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.12 -32.61 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.881 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' ILE . 15.0 p -48.14 -32.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 64.530000000000001 111.128 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -48.41 -30.97 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -48.63 -30.73 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 64.019999999999996 110.83 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.21 -43.85 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 44.340000000000003 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.73 -47.92 50.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 65.450000000000003 110.873 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 61.520000000000003 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -40.1 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 110.854 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.77 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.040000000000006 110.861 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -48.2 -34.49 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 110.862 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -48.25 -35.84 12.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.61 -35.31 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 52.119999999999997 111.066 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -67.37 -22.93 65.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 54.340000000000003 111.133 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -3.04 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 110.897 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.5 mt 64.66 74.89 0.39 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 74.439999999999998 111.066 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 136.99 34.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 40.399999999999999 112.318 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -124.45 26.99 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.530000000000001 110.838 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -80.18 -170.02 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 64.99 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 64.319999999999993 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -63.53 -70.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.049999999999997 110.921 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -123.52 -66.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.978 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 pt -110.41 -178.56 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.129999999999995 111.144 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.1 ptp -98.87 -36.33 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 110.889 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.961 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 112.496 -0.241 . . . . 64.319999999999993 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.1 tp -83.87 136.49 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 60.229999999999997 111.165 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -114.9 49.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.350000000000001 110.833 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt 55.07 46.53 23.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 62.030000000000001 110.908 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.81 111.34 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 72.439999999999998 110.903 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -67.92 -173.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 59.79 40.46 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 74.450000000000003 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -73.64 173.27 9.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 71.430000000000007 110.913 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -89.74 126.7 35.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 52.049999999999997 110.845 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 164.12 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 64.230000000000004 110.87 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.6 167.36 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 52.210000000000001 110.955 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.5 pt20 -48.16 -34.32 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.876 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.34 9.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.755 -0.736 . . . . 64.430000000000007 112.45 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.07 -33.04 9.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 44.43 112.538 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.1 m -48.17 -33.76 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 64.349999999999994 111.136 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.8 tp -48.37 -57.12 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 72.140000000000001 110.941 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' ILE . 96.3 t -48.96 -42.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 111.127 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.2 -31.43 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 71.540000000000006 110.914 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.44 -30.47 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 61.420000000000002 110.98 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.27 -43.76 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 73.010000000000005 111.091 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.7 mt -49.63 -47.94 49.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 53.119999999999997 110.905 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 70.439999999999998 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -40.06 63.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 72.540000000000006 110.882 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -30.86 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 44.509999999999998 110.884 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 28' ' ' THR . 23.9 ttpp -48.69 -48.67 40.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.349999999999994 110.928 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -48.26 -33.91 9.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 75.319999999999993 110.863 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' ' OE1' ' A' ' 29' ' ' GLN . . . -83.26 -53.1 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.08 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 25' ' ' LYS . 1.1 p 38.96 34.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.099999999999994 111.146 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 1.4 pm0 -70.29 -11.75 61.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 52.439999999999998 110.965 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -135.04 71.95 68.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 75.319999999999993 111.115 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -171.1 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.67 2.247 . . . . 74.230000000000004 112.375 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -96.88 27.07 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 53.210000000000001 110.817 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.33 -38.61 42.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.420000000000002 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt 45.59 84.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.150000000000006 110.883 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.65 -74.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 72.099999999999994 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 pp -87.65 -34.16 18.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 75.049999999999997 110.89 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.15 128.49 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 53.200000000000003 111.151 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 ttt -83.46 -26.27 30.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.409999999999997 110.843 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 73.409999999999997 110.952 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 51.420000000000002 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.9 mt -71.56 104.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 63.340000000000003 111.1 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -143.47 135.07 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.803 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 159.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -108.01 57.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 55.439999999999998 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -124.47 174.64 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -77.05 150.92 35.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 75.099999999999994 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -118.17 143.15 46.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.329999999999998 110.89 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -120.93 57.19 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 110.833 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 56.06 37.45 28.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.848 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 12' ' ' GLN . 4.2 pp -108.96 -36.6 6.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 52.25 110.904 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 mt-30 -48.21 -42.16 29.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.884 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.23 -56.96 8.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 71.150000000000006 112.487 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' O ' HG12 ' A' ' 17' ' ' VAL . . . 39.6 34.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 51.340000000000003 112.526 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -48.66 -31.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 75.329999999999998 111.142 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.27 -33.54 8.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.935 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.589 ' O ' HG22 ' A' ' 20' ' ' ILE . 14.6 p -48.21 -33.2 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 111.22 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -48.49 -30.93 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 61.109999999999999 110.877 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -48.58 -30.7 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 63.539999999999999 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -48.1 -43.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 65.109999999999999 111.151 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.9 mt -49.75 -47.96 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 63.039999999999999 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -64.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 75.230000000000004 110.876 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -40.03 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.97 -30.66 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 53.219999999999999 110.878 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -49.13 -32.3 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -49.17 -26.12 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.519999999999996 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.64 32.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 74.019999999999996 111.068 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 m -55.93 -23.03 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 70.25 111.117 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -68.74 -11.91 60.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 71.219999999999999 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mm 60.24 68.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 73.430000000000007 111.124 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.83 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 62.409999999999997 112.367 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -98.6 26.92 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.549999999999997 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.472 . . . . 70.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.4 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 73.129999999999995 110.906 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -42.81 99.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.55 -72.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.944 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG22 ' OXT' ' A' ' 39' ' ' TYR . 50.4 mm -53.75 133.71 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 52.109999999999999 111.201 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.6 ttt -87.88 -53.72 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.420000000000002 110.903 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.544 ' OXT' HG22 ' A' ' 37' ' ' ILE . 59.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.949 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.483 -0.247 . . . . 51.350000000000001 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.4 pt -112.9 -27.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 72.030000000000001 111.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -78.57 155.7 29.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.85 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -132.42 175.39 9.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 45.229999999999997 110.914 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -119.95 113.42 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.409999999999997 110.987 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -124.32 38.06 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.150000000000006 110.848 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -119.15 179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -99.48 26.18 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 70.230000000000004 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p 54.11 30.47 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 55.329999999999998 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.5 mtt-85 -104.86 -29.69 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 73.25 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -106.01 -48.25 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 72.230000000000004 110.964 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 15' ' ' VAL . 16.2 mt-30 39.7 34.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.17 -32.33 9.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.464 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.31 9.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 44.25 112.437 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 12' ' ' GLN . 35.8 m -48.0 -34.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 73.200000000000003 111.163 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.13 -55.95 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.945 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' ILE . 99.2 t -48.61 -43.49 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 65.150000000000006 111.116 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.82 -34.18 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 53.509999999999998 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -48.14 -27.06 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 64.25 110.864 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -46.95 -40.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.430000000000007 111.161 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -50.05 -45.03 51.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.450000000000003 110.919 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -51.21 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.856 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -38.7 56.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.837 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -29.32 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 74.109999999999999 110.813 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.54 -31.92 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.530000000000001 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -49.77 -31.84 12.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 70.430000000000007 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.21 31.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 70.140000000000001 111.166 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m 39.45 34.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -11.34 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.8 mt 64.9 75.3 0.36 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 53.310000000000002 111.116 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 159.21 54.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 71.409999999999997 112.278 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -108.12 26.82 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.802 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -60.07 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 70.329999999999998 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 62.67 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 73.299999999999997 110.881 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -74.89 -26.04 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.549999999999997 110.942 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.746 HD12 HG12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -53.59 -43.35 68.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.430000000000007 110.895 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.746 HG12 HD12 ' A' ' 36' ' ' LEU . 44.3 mm -129.25 134.27 64.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 70.150000000000006 111.162 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.0 mtt -80.04 -39.54 29.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 61.020000000000003 110.877 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 110.877 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 62.409999999999997 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -70.96 -27.32 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.25 111.13 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -127.01 27.38 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.912 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -168.93 135.79 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -116.46 168.05 10.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 110.862 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 177.01 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -93.55 -33.09 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 110.878 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -82.46 65.79 7.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 53.420000000000002 110.891 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.8 -58.31 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 52.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -171.1 128.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 71.439999999999998 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.24 158.65 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 50.310000000000002 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.3 mp0 -48.22 -53.81 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' O ' HD13 ' A' ' 16' ' ' LEU . . . -48.23 -32.42 9.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 75.400000000000006 112.46 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.28 -32.5 9.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 73.019999999999996 112.48 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 12' ' ' GLN . 34.3 m -48.12 -33.78 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 70.310000000000002 111.212 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 13' ' ' GLY . 9.5 mp -48.27 -33.58 8.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 53.530000000000001 110.948 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 20' ' ' ILE . 87.4 t -48.46 -41.01 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.340000000000003 111.107 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -48.09 -31.91 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.861 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -47.96 -31.77 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 64.329999999999998 110.917 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 6.5 tp -48.11 -38.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 72.340000000000003 111.186 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.7 pp -51.59 -39.2 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.540000000000006 110.961 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' N ' HD12 ' A' ' 21' ' ' LEU . 70.4 m-80 -48.83 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.938 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.04 -55.02 40.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.875 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 20.5 mmm -47.14 -34.21 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.049999999999997 110.85 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -48.94 -39.43 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 61.009999999999998 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -49.53 -32.14 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 60.109999999999999 110.885 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB1' HG13 ' A' ' 30' ' ' ILE . . . -86.19 31.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 65.239999999999995 111.077 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -22.03 60.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 60.229999999999997 111.209 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -11.89 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.210000000000001 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG13 ' HB1' ' A' ' 27' ' ' ALA . 8.1 pt -145.18 69.48 14.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 72.140000000000001 111.198 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.05 69.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.251 . . . . 71.329999999999998 112.337 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -124.83 29.75 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.822 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -61.99 -174.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.329999999999998 110.941 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' HE2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -93.02 134.91 34.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 73.140000000000001 110.897 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -109.09 25.62 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 65.409999999999997 110.908 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.849 HD12 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -93.35 -19.27 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.922 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.849 HG23 HD12 ' A' ' 36' ' ' LEU . 2.7 pp -119.8 158.35 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.510000000000005 111.133 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.514 ' O ' ' OXT' ' A' ' 39' ' ' TYR . 14.0 mtt -86.13 -54.37 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 110.902 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' OXT' ' O ' ' A' ' 38' ' ' MET . 42.9 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.540000000000006 110.978 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.539 -0.224 . . . . 60.25 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.1 mm -95.58 118.49 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 72.019999999999996 111.153 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -105.09 117.03 32.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.948 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.14 161.44 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.93 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -98.21 -59.43 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 75.519999999999996 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.61 -39.5 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 62.329999999999998 110.87 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -134.74 -71.53 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 74.120000000000005 110.909 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -139.8 156.24 46.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.931 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -167.81 167.18 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.129999999999995 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 59.62 46.03 12.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 73.230000000000004 110.84 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.67 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 72.099999999999994 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.5 mp0 -48.16 -55.56 10.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 110.95 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.16 -32.31 9.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 62.310000000000002 112.51 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.31 -33.76 11.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 45.439999999999998 112.464 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 12' ' ' GLN . 30.9 m -48.35 -31.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 63.039999999999999 111.15 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' OE2' ' A' ' 19' ' ' GLU . 1.6 tt -48.16 -33.47 8.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 72.010000000000005 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 14' ' ' GLY . 32.4 m -48.28 -32.96 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.087 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -48.44 -31.95 7.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 71.430000000000007 110.87 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 16' ' ' LEU . 16.0 pt-20 -48.66 -30.91 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.530000000000001 110.83 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 17' ' ' VAL . 5.8 tp -47.76 -40.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 62.109999999999999 111.135 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' N ' HG23 ' A' ' 20' ' ' ILE . 15.3 mt -51.65 -50.33 60.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 72.420000000000002 110.908 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -38.01 -67.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.87 -50.07 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 75.109999999999999 110.845 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mmt -46.67 -36.94 7.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 74.140000000000001 110.871 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -48.27 -45.44 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 64.299999999999997 110.824 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -48.22 -37.84 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 64.120000000000005 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.0 -48.62 64.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.099999999999994 111.124 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -58.87 -22.34 58.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.131 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -79.28 -11.78 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.963 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.7 mt 64.04 71.34 0.6 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 64.140000000000001 111.076 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -171.27 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 55.399999999999999 112.358 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -112.11 -33.53 6.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 62.509999999999998 110.828 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -69.96 -171.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.200000000000003 110.973 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -120.82 129.56 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.239999999999995 110.95 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 26.04 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 64.420000000000002 110.882 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD21 ' NZ ' ' A' ' 34' ' ' LYS . 1.7 pp -73.07 -27.48 61.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 64.099999999999994 110.981 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.439 HD11 ' HE3' ' A' ' 34' ' ' LYS . 50.9 mm -57.13 136.81 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 111.147 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 mtt -95.18 -51.51 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 72.319999999999993 110.859 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 64.140000000000001 110.924 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.511 -0.235 . . . . 72.049999999999997 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 2' ' ' ILE . 5.0 mp -84.94 -48.43 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 74.530000000000001 111.144 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -68.88 138.39 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 71.430000000000007 110.845 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -137.11 135.6 37.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.040000000000006 110.911 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -66.76 122.91 18.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.239999999999995 110.893 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -162.11 156.5 22.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 65.299999999999997 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -118.53 28.36 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -118.41 66.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.883 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.4 71.46 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 72.310000000000002 110.87 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -104.59 -27.36 11.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 73.219999999999999 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -52.32 165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.1 mt-30 -48.26 -56.8 7.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 74.219999999999999 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.15 -32.47 9.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 74.319999999999993 112.457 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.18 -33.56 11.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.806 -0.711 . . . . 72.420000000000002 112.44 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 12' ' ' GLN . 32.8 m -48.3 -31.98 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 74.150000000000006 111.094 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -48.07 -33.61 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.892 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLY . 31.6 m -48.18 -32.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -48.8 -33.06 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 60.119999999999997 110.871 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.26 -26.89 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 70.400000000000006 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -47.06 -41.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 74.400000000000006 111.19 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 22' ' ' ASN . 3.8 pp -50.06 -44.86 51.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 63.229999999999997 110.915 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -51.17 -65.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.856 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -40.17 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 110.811 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -30.82 15.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 71.239999999999995 110.867 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -48.29 -48.2 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 75.310000000000002 110.85 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -48.37 -56.17 8.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.413 . . . . 52.140000000000001 110.801 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.62 -31.23 24.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 71.239999999999995 111.082 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.59 34.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 53.030000000000001 111.103 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -5.83 49.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 70.400000000000006 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 mp 64.31 73.91 0.44 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.697 0.76 . . . . 62.530000000000001 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 77.88 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 70.430000000000007 112.346 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.4 t -74.49 -24.91 59.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 72.019999999999996 110.826 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.01 -168.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 63.420000000000002 110.954 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -30.26 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 70.150000000000006 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.95 175.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 60.520000000000003 110.931 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -129.57 -68.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.129999999999995 110.89 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 pt -66.27 -176.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.340000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.8 mtm -79.87 -42.42 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.955 -179.894 . . . . . . . . 0 0 . 1 stop_ save_