data_2ena_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 2ena _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 ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CE1' HD12 ' A' ' 34' ' ' ILE . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CE1' HD13 ' A' ' 34' ' ' ILE . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CE1' HD11 ' A' ' 34' ' ' ILE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CE1' HD12 ' A' ' 34' ' ' ILE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' HD13 ' A' ' 34' ' ' ILE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD12 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' CE ' ' HG2' ' A' ' 23' ' ' ARG . 14.8 mmmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG22 ' A' ' 17' ' ' THR . 62.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' HD13 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CG ' HG22 ' A' ' 17' ' ' THR . 61.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 35' ' ' HIS . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CE1' HD11 ' A' ' 34' ' ' ILE . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.0 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.458 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 14' ' ' ARG . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 11' ' ' LYS . 14.3 mmmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 48.83 41.73 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -77.81 143.61 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 77.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -131.13 159.23 38.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -165.85 146.21 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 -146.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -138.2 163.73 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -67.33 114.52 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -38.82 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.1 mmmt -93.01 152.12 41.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CE1' HD12 ' A' ' 34' ' ' ILE . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -85.1 -21.27 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -85.5 43.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.11 -73.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.56 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.92 68.09 1.56 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.08 15.09 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.5 m -78.82 80.8 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.9 83.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 147.7 62.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 p -135.28 -177.21 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t 60.5 44.04 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.4 t 36.01 41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -115.96 88.44 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 171.67 49.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p 39.99 41.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 70.0 p -103.41 -44.58 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.96 71.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -93.08 44.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -73.47 115.87 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -37.78 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ALA . 11.1 mmmt -123.22 152.55 64.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 6' ' ' SER . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -83.64 -49.97 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.41 ' HG1' ' N ' ' A' ' 37' ' ' GLY . 44.2 p -39.91 -44.26 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' HG1' ' A' ' 36' ' ' THR . . . 144.59 -141.85 10.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -108.31 42.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.3 mptp? -121.86 81.05 41.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.81 2.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -127.82 87.22 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.26 -173.5 32.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -118.77 41.84 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -78.08 -45.26 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -83.46 156.23 23.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -69.07 154.13 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.16 -39.71 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -98.93 94.46 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -170.79 128.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -109.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -142.11 168.76 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.8 146.39 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.2 -18.86 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -109.02 151.12 41.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -87.2 18.17 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.3 p -147.6 151.61 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.39 -135.45 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -86.31 175.04 8.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -128.93 143.55 49.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.519 0.676 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -110.08 149.15 30.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.17 168.09 18.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -158.76 156.83 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.6 p -72.43 148.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.502 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.85 173.86 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -115.91 166.99 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.15 152.65 20.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.75 142.58 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -72.19 141.88 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 172.34 37.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -141.93 121.38 13.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 146.7 39.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -58.63 -21.24 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -103.51 152.68 38.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' CE1' HD13 ' A' ' 34' ' ' ILE . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' THR . 59.0 m-70 -78.24 -57.87 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' HIS . 21.5 p -35.26 124.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.03 169.57 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.49 -176.5 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.0 mmmm 63.5 55.04 1.82 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -177.33 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 t -45.96 162.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.97 -69.35 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.6 2.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -50.55 161.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -114.22 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -133.9 141.55 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -64.02 -43.58 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 156.38 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -40.13 146.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -49.52 -48.82 47.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 162.01 11.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -146.85 146.76 30.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.74 137.33 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -45.62 -21.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt -117.78 153.53 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -83.71 -47.79 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 p -46.37 159.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 105.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.98 154.26 41.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -38.95 144.2 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 149.75 67.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -82.99 131.44 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.31 -64.32 4.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 136.19 32.49 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 m -75.19 85.94 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -142.79 157.53 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.51 131.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -87.37 171.58 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 -76.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t 51.09 40.85 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -100.36 108.18 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.49 155.63 51.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -141.54 119.87 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.37 142.77 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.85 -14.62 15.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -121.46 152.78 58.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CE1' HD11 ' A' ' 34' ' ' ILE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.51 45.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.6 p -135.87 162.58 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -154.88 -53.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' GLY . 24.0 tt0 -34.58 143.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -105.52 131.37 21.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.34 13.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m 53.94 39.67 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.04 -156.64 28.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.63 65.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -118.95 43.83 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' GLY . 28.9 t -61.06 -45.5 94.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -65.91 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -123.61 123.81 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.59 155.05 17.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -174.35 176.86 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -159.76 115.34 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.94 140.94 3.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -173.78 144.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.34 149.98 40.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.4 -8.2 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -112.42 151.39 43.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CE1' HD12 ' A' ' 34' ' ' ILE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -81.04 -21.9 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -84.85 44.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.88 79.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.73 36.67 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 72.34 55.0 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -162.62 177.09 9.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.34 94.36 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 5.95 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.5 m 59.14 51.11 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -90.12 131.59 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -143.95 123.95 13.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -119.67 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 96.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -78.14 89.18 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.3 160.53 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 156.48 32.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -122.21 147.41 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.153 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -50.49 125.21 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.32 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ALA . 20.3 mmmt -114.41 152.62 46.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' CE1' HD13 ' A' ' 34' ' ' ILE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 36' ' ' THR . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' THR . 68.4 m-70 -82.11 -75.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' MET . 27.5 p 33.6 47.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.72 66.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -140.79 142.83 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -40.81 139.36 1.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.25 59.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -62.09 -44.38 96.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.35 123.71 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -12.08 32.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -119.02 88.93 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -69.99 155.88 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.489 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -131.09 169.99 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -51.01 -45.96 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.81 -143.48 26.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -75.28 154.77 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -124.22 128.7 49.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.47 109.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -168.91 159.46 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.65 138.52 34.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -52.1 -16.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -110.25 150.99 42.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.48 ' CE1' HD12 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -85.35 21.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.4 p -122.54 -43.64 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.07 -87.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 54.35 24.95 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 17.8 ttmm -41.7 102.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.74 159.78 52.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -107.45 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.36 -75.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -108.89 88.63 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -126.25 133.33 51.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -125.95 150.45 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -121.39 169.61 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.12 126.05 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -110.23 115.47 29.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -151.49 158.51 43.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.25 -48.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -73.81 138.38 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -144.99 120.54 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.1 tm-20 -34.02 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.8 mmmt -122.38 152.41 60.97 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -82.88 41.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.2 p -130.15 43.08 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.81 160.73 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 55.35 44.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -115.12 144.35 31.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -163.58 127.79 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.58 -156.28 16.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.03 47.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -80.12 -48.51 13.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.7 p -116.47 152.83 33.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -84.41 161.63 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -96.21 150.15 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 64.54 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -80.95 42.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -153.39 114.32 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 -84.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.48 128.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -84.21 123.53 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.42 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.8 mmmt -107.53 154.58 40.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.4 -53.98 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 p -37.93 132.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.38 121.36 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -165.13 118.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -67.13 143.1 97.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.87 44.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 t -41.96 -44.25 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.63 91.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 97.07 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -61.63 166.63 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -67.54 124.52 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -82.19 44.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -157.89 150.51 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 -99.71 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -73.57 136.04 43.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -174.18 140.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 163.11 54.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -41.41 -60.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 120.68 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.7 -34.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -124.75 151.77 68.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG22 ' A' ' 17' ' ' THR . 62.9 m-70 -85.22 47.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.7 p -142.37 174.34 10.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.35 -133.3 6.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -84.91 70.41 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -142.45 134.17 13.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 m -155.78 175.6 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.3 64.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.13 21.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m 41.41 41.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -75.55 141.61 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -163.08 146.48 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -160.28 172.54 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 74.05 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -116.12 41.25 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -134.28 100.28 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.28 -47.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -62.89 134.36 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.9 141.55 33.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.97 -17.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -109.24 151.61 42.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' HD13 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CG ' HG22 ' A' ' 17' ' ' THR . 61.4 m-70 -85.91 45.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -134.29 113.13 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -100.8 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -89.59 126.85 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 10.0 ptmm? -109.42 109.41 60.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 127.04 14.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 p -73.25 127.56 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.0 -169.56 7.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -79.85 134.08 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t 57.35 42.08 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -161.29 155.0 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -174.96 113.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.02 -179.73 33.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -152.75 133.91 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -115.96 -40.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.06 108.29 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 p -78.74 156.83 28.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -42.81 129.14 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -42.3 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ALA . 24.4 mmmt -115.94 152.6 47.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 35' ' ' HIS . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CE1' HD11 ' A' ' 34' ' ' ILE . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.0 m-70 -81.06 -39.45 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -56.43 120.38 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.93 -146.29 9.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -57.59 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.895 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ptmt 30.25 55.02 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 m -115.63 42.59 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.44 176.94 14.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.2 p 42.37 42.77 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 p -100.05 162.9 12.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.499 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -89.43 93.63 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t -114.89 41.95 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 138.72 15.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -43.93 -45.6 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 48.33 40.95 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -119.82 -52.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.7 t -38.11 145.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -141.97 108.5 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.0 mm-40 -34.61 -39.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -124.42 151.3 66.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 61.7 m-70 -83.2 -52.67 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' HIS . 43.6 p -35.28 122.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 59.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.45 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.9 154.15 60.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -56.09 140.33 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.08 137.94 9.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -4.06 13.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.2 p -81.87 157.71 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -150.7 171.11 17.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -62.32 117.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -112.93 130.75 56.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.91 92.58 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -118.71 -50.59 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -87.16 -41.02 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.8 p -110.75 121.16 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.2 130.34 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -112.46 151.04 43.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 14' ' ' ARG . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD13 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' THR . 62.6 m-70 -85.76 -55.55 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' HIS . 24.6 p -35.91 142.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.6 -159.69 35.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.94 81.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.7 ttmt -94.74 139.4 22.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.81 0.4 5.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.31 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 5.3 t -34.02 -60.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.11 135.57 5.59 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.1 p -110.42 41.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.2 p -151.55 164.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -61.26 -58.19 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -149.55 162.3 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.2 102.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -121.76 129.66 52.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 14' ' ' ARG . 23.8 t -42.06 114.43 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.09 -90.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -141.13 154.64 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -124.4 116.9 23.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.7 tp10 -33.27 -37.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.3 mmmt -117.14 153.99 49.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' NH1' ' OG ' ' A' ' 6' ' ' SER . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -82.84 -45.26 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.5 p -43.45 -42.01 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.01 -157.44 45.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -143.97 156.69 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -172.77 148.3 1.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.85 4.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 p -66.26 113.96 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.38 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -8.72 24.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -81.44 128.44 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -137.49 149.47 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -55.68 109.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.387 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -144.39 142.66 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 150.08 18.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.58 108.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -63.28 -49.93 72.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.78 -151.01 12.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 t -116.94 -37.81 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -137.84 115.37 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.0 pt-20 -36.93 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.6 mmmt -117.3 152.67 49.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -84.85 39.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.6 p -134.11 154.76 50.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.1 -81.65 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.27 59.54 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -129.78 71.33 82.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.47 32.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -60.24 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . 72.81 -138.74 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.6 Cg_endo -69.77 148.21 64.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 t -140.41 106.37 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.1 p -47.74 -31.12 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -123.55 101.72 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.922 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 p -171.02 147.76 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 131.83 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -149.5 165.87 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -39.72 101.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.45 28.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 9' ' ' ALA . 4.7 t -67.97 -36.8 80.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 111.133 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 8' ' ' THR . . . -174.75 143.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -61.16 -15.42 33.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HG2' ' CD ' ' A' ' 10' ' ' GLU . 22.4 mmmt -119.84 153.18 54.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -78.12 -54.05 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -37.33 -46.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.21 -109.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -80.19 124.37 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 39.7 tttp -100.85 140.0 20.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.78 -30.35 22.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.0 p -76.5 -57.2 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.47 167.34 39.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.91 7.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -76.66 85.02 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -145.14 166.61 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.511 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -131.52 42.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -70.96 162.81 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.62 109.07 2.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -44.15 -58.39 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -169.76 167.33 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 -154.35 11.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 p -139.87 143.67 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -85.12 118.75 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.8 tp10 -37.07 -28.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.2 mmmt -118.5 153.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.426 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -79.49 -68.01 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HA ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -52.77 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.48 -99.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -48.4 100.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -43.5 141.53 2.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.48 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -90.59 -57.21 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.5 145.78 17.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 119.5 6.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -164.97 163.98 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -60.53 162.23 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.946 ' HB3' HD22 ' A' ' 28' ' ' LEU . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.946 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 35' ' ' HIS . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.932 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.95 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.95 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.871 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 35' ' ' HIS . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CG ' HG21 ' A' ' 17' ' ' THR . 63.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.862 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.685 ' HE ' HD11 ' A' ' 28' ' ' LEU . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CG ' HG21 ' A' ' 17' ' ' THR . 58.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.536 HG21 ' CG ' ' A' ' 35' ' ' HIS . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.921 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.921 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.467 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CE1' HD11 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.8 mmmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' CE ' ' HG2' ' A' ' 23' ' ' ARG . 14.8 mmmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.943 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.943 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mmmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.478 HG21 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.929 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CG ' HG21 ' A' ' 17' ' ' THR . 61.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.935 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.4 mmmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.94 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 35' ' ' HIS . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.6 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 14.3 mmmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.894 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 35' ' ' HIS . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 22.4 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.902 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.902 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 13.2 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.695 HG21 ' CG ' ' A' ' 35' ' ' HIS . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CG ' HG21 ' A' ' 17' ' ' THR . 72.4 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 48.83 41.73 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -77.81 143.61 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 77.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -131.13 159.23 38.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -165.85 146.21 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 -146.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -138.2 163.73 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -67.33 114.52 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -38.82 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.1 mmmt -93.01 152.12 41.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.946 ' HB3' HD22 ' A' ' 28' ' ' LEU . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.946 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -85.1 -21.27 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -85.5 43.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.11 -73.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.56 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.92 68.09 1.56 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.08 15.09 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.5 m -78.82 80.8 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.9 83.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 147.7 62.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 p -135.28 -177.21 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t 60.5 44.04 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.4 t 36.01 41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -115.96 88.44 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 171.67 49.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p 39.99 41.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 70.0 p -103.41 -44.58 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.96 71.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -93.08 44.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -73.47 115.87 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.2 pm0 -37.78 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ALA . 11.1 mmmt -123.22 152.55 64.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 6' ' ' SER . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 35' ' ' HIS . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 36' ' ' THR . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.7 m-70 -83.64 -49.97 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 32' ' ' ARG . 44.2 p -39.91 -44.26 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.59 -141.85 10.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -108.31 42.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 1.3 mptp? -121.86 81.05 41.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.81 2.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -127.82 87.22 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.26 -173.5 32.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -118.77 41.84 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -78.08 -45.26 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -83.46 156.23 23.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -69.07 154.13 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.16 -39.71 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -98.93 94.46 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -170.79 128.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -109.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -142.11 168.76 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.8 146.39 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.2 -18.86 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -109.02 151.12 41.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.932 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -87.2 18.17 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.3 p -147.6 151.61 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.39 -135.45 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -86.31 175.04 8.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -128.93 143.55 49.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.519 0.676 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -110.08 149.15 30.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.17 168.09 18.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -158.76 156.83 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.6 p -72.43 148.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.502 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.85 173.86 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -115.91 166.99 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.15 152.65 20.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.75 142.58 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -72.19 141.88 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 172.34 37.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -141.93 121.38 13.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 146.7 39.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -58.63 -21.24 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -103.51 152.68 38.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.95 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.95 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 36' ' ' THR . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' THR . 59.0 m-70 -78.24 -57.87 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ARG . 21.5 p -35.26 124.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.03 169.57 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.49 -176.5 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.0 mmmm 63.5 55.04 1.82 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -177.33 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 t -45.96 162.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.97 -69.35 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.6 2.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -50.55 161.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -114.22 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -133.9 141.55 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -64.02 -43.58 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 156.38 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -40.13 146.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -49.52 -48.82 47.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 162.01 11.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -146.85 146.76 30.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.74 137.33 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -45.62 -21.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt -117.78 153.53 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.871 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 35' ' ' HIS . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' THR . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CG ' HG21 ' A' ' 17' ' ' THR . 63.6 m-70 -83.71 -47.79 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' ARG . 27.2 p -46.37 159.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 105.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.98 154.26 41.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -38.95 144.2 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 149.75 67.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -82.99 131.44 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.31 -64.32 4.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 136.19 32.49 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 m -75.19 85.94 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -142.79 157.53 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.51 131.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -87.37 171.58 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 -76.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t 51.09 40.85 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -100.36 108.18 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.49 155.63 51.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -141.54 119.87 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.37 142.77 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.85 -14.62 15.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -121.46 152.78 58.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.862 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 36' ' ' THR . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.51 45.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 33' ' ' MET . 37.6 p -135.87 162.58 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -154.88 -53.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' GLY . 24.0 tt0 -34.58 143.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -105.52 131.37 21.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.34 13.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m 53.94 39.67 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.04 -156.64 28.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.63 65.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -118.95 43.83 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' GLY . 28.9 t -61.06 -45.5 94.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -65.91 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -123.61 123.81 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.59 155.05 17.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -174.35 176.86 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -159.76 115.34 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.94 140.94 3.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -173.78 144.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.34 149.98 40.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.4 -8.2 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -112.42 151.39 43.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.685 ' HE ' HD11 ' A' ' 28' ' ' LEU . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CG ' HG21 ' A' ' 17' ' ' THR . 58.4 m-70 -81.04 -21.9 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -84.85 44.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.88 79.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.73 36.67 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 72.34 55.0 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -162.62 177.09 9.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.34 94.36 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 5.95 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.5 m 59.14 51.11 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -90.12 131.59 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -143.95 123.95 13.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -119.67 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 96.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -78.14 89.18 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.3 160.53 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 156.48 32.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -122.21 147.41 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.153 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -50.49 125.21 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.32 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ALA . 20.3 mmmt -114.41 152.62 46.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.536 HG21 ' CG ' ' A' ' 35' ' ' HIS . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.878 ' O ' HG23 ' A' ' 36' ' ' THR . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.4 m-70 -82.11 -75.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 33' ' ' MET . 27.5 p 33.6 47.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.72 66.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -140.79 142.83 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -40.81 139.36 1.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.25 59.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -62.09 -44.38 96.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.35 123.71 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -12.08 32.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -119.02 88.93 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -69.99 155.88 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.489 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -131.09 169.99 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -51.01 -45.96 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.81 -143.48 26.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -75.28 154.77 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -124.22 128.7 49.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.47 109.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -168.91 159.46 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.65 138.52 34.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -52.1 -16.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -110.25 150.99 42.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.921 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.921 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.467 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CE1' HD11 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.411 ' O ' HG23 ' A' ' 36' ' ' THR . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -85.35 21.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 33' ' ' MET . 13.4 p -122.54 -43.64 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.07 -87.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 54.35 24.95 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 17.8 ttmm -41.7 102.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.74 159.78 52.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -107.45 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.36 -75.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -108.89 88.63 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -126.25 133.33 51.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -125.95 150.45 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -121.39 169.61 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.12 126.05 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -110.23 115.47 29.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -151.49 158.51 43.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.25 -48.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -73.81 138.38 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -144.99 120.54 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.1 tm-20 -34.02 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.8 mmmt -122.38 152.41 60.97 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 36' ' ' THR . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -82.88 41.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 33' ' ' MET . 57.2 p -130.15 43.08 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.81 160.73 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 55.35 44.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -115.12 144.35 31.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -163.58 127.79 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.58 -156.28 16.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.03 47.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -80.12 -48.51 13.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.7 p -116.47 152.83 33.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -84.41 161.63 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -96.21 150.15 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 64.54 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -80.95 42.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -153.39 114.32 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 -84.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.48 128.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -84.21 123.53 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.42 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.8 mmmt -107.53 154.58 40.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.943 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.943 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.4 -53.98 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' ARG . 21.9 p -37.93 132.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.38 121.36 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -165.13 118.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -67.13 143.1 97.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.87 44.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 t -41.96 -44.25 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.63 91.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 97.07 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -61.63 166.63 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -67.54 124.52 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -82.19 44.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -157.89 150.51 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 -99.71 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -73.57 136.04 43.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -174.18 140.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 163.11 54.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -41.41 -60.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 120.68 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.7 -34.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mmmt -124.75 151.77 68.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.478 HG21 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.9 m-70 -85.22 47.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.7 p -142.37 174.34 10.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.35 -133.3 6.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -84.91 70.41 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -142.45 134.17 13.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 m -155.78 175.6 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.3 64.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.13 21.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m 41.41 41.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -75.55 141.61 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -163.08 146.48 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -160.28 172.54 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 74.05 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -116.12 41.25 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -134.28 100.28 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.28 -47.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -62.89 134.36 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.9 141.55 33.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.97 -17.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -109.24 151.61 42.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.929 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.536 ' O ' HG23 ' A' ' 36' ' ' THR . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CG ' HG21 ' A' ' 17' ' ' THR . 61.4 m-70 -85.91 45.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 33' ' ' MET . 39.5 p -134.29 113.13 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -100.8 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -89.59 126.85 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 10.0 ptmm? -109.42 109.41 60.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 127.04 14.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 p -73.25 127.56 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.0 -169.56 7.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -79.85 134.08 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t 57.35 42.08 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -161.29 155.0 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -174.96 113.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.02 -179.73 33.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -152.75 133.91 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -115.96 -40.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.06 108.29 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 p -78.74 156.83 28.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -42.81 129.14 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -42.3 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ALA . 24.4 mmmt -115.94 152.6 47.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.935 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 36' ' ' THR . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -81.06 -39.45 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 32' ' ' ARG . 22.6 p -56.43 120.38 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.93 -146.29 9.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -57.59 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.895 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ptmt 30.25 55.02 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 m -115.63 42.59 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.44 176.94 14.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.2 p 42.37 42.77 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 p -100.05 162.9 12.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.499 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -89.43 93.63 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t -114.89 41.95 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 138.72 15.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -43.93 -45.6 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 48.33 40.95 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -119.82 -52.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.7 t -38.11 145.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -141.97 108.5 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.0 mm-40 -34.61 -39.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.4 mmmt -124.42 151.3 66.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 36' ' ' THR . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 61.7 m-70 -83.2 -52.67 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 32' ' ' ARG . 43.6 p -35.28 122.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 59.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.45 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.9 154.15 60.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -56.09 140.33 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.08 137.94 9.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -4.06 13.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.2 p -81.87 157.71 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -150.7 171.11 17.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -62.32 117.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -112.93 130.75 56.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.91 92.58 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -118.71 -50.59 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -87.16 -41.02 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.8 p -110.75 121.16 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' HE ' ' A' ' 14' ' ' ARG . . . -150.2 130.34 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -112.46 151.04 43.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.94 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.622 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 35' ' ' HIS . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' THR . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.6 m-70 -85.76 -55.55 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 32' ' ' ARG . 24.6 p -35.91 142.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.6 -159.69 35.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.94 81.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.7 ttmt -94.74 139.4 22.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.81 0.4 5.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.31 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 5.3 t -34.02 -60.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.11 135.57 5.59 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.1 p -110.42 41.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.2 p -151.55 164.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -61.26 -58.19 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -149.55 162.3 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.2 102.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -121.76 129.66 52.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 14' ' ' ARG . 23.8 t -42.06 114.43 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.09 -90.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -141.13 154.64 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -124.4 116.9 23.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.7 tp10 -33.27 -37.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.3 mmmt -117.14 153.99 49.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' NH1' ' OG ' ' A' ' 6' ' ' SER . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 36' ' ' THR . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -82.84 -45.26 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 32' ' ' ARG . 48.5 p -43.45 -42.01 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.01 -157.44 45.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -143.97 156.69 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -172.77 148.3 1.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.85 4.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 p -66.26 113.96 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.38 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -8.72 24.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -81.44 128.44 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -137.49 149.47 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -55.68 109.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.387 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -144.39 142.66 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 150.08 18.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.58 108.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -63.28 -49.93 72.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.78 -151.01 12.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 t -116.94 -37.81 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -137.84 115.37 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.0 pt-20 -36.93 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.6 mmmt -117.3 152.67 49.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.894 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 35' ' ' HIS . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.1 m-70 -84.85 39.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.6 p -134.11 154.76 50.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.1 -81.65 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.27 59.54 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -129.78 71.33 82.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.47 32.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -60.24 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . 72.81 -138.74 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.6 Cg_endo -69.77 148.21 64.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 t -140.41 106.37 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.1 p -47.74 -31.12 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -123.55 101.72 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.922 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 p -171.02 147.76 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 131.83 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -149.5 165.87 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -39.72 101.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.45 28.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -67.97 -36.8 80.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 111.133 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -61.16 -15.42 33.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 10' ' ' GLU . 22.4 mmmt -119.84 153.18 54.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.902 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.902 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' THR . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -78.12 -54.05 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ARG . 32.1 p -37.33 -46.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.21 -109.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -80.19 124.37 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 39.7 tttp -100.85 140.0 20.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.78 -30.35 22.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.0 p -76.5 -57.2 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.47 167.34 39.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.91 7.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -76.66 85.02 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -145.14 166.61 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.511 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -131.52 42.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -70.96 162.81 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.62 109.07 2.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -44.15 -58.39 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -169.76 167.33 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 -154.35 11.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 p -139.87 143.67 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -85.12 118.75 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.8 tp10 -37.07 -28.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.2 mmmt -118.5 153.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.695 HG21 ' CG ' ' A' ' 35' ' ' HIS . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 36' ' ' THR . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.437 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CG ' HG21 ' A' ' 17' ' ' THR . 72.4 m-70 -79.49 -68.01 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -52.77 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.48 -99.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -48.4 100.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -43.5 141.53 2.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.48 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -90.59 -57.21 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.5 145.78 17.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 119.5 6.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -164.97 163.98 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -60.53 162.23 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.946 ' HB3' HD22 ' A' ' 28' ' ' LEU . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.946 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 35' ' ' HIS . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.7 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.932 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.95 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.95 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.871 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 35' ' ' HIS . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CG ' HG21 ' A' ' 17' ' ' THR . 63.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.862 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.579 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.685 ' HE ' HD11 ' A' ' 28' ' ' LEU . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CG ' HG21 ' A' ' 17' ' ' THR . 58.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 HG21 ' CG ' ' A' ' 35' ' ' HIS . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.4 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.921 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.921 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.467 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CE1' HD11 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.8 mmmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' CE ' ' HG2' ' A' ' 23' ' ' ARG . 14.8 mmmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.943 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.943 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mmmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.478 HG21 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.929 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CG ' HG21 ' A' ' 17' ' ' THR . 61.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.935 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.4 mmmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.94 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 14' ' ' ARG . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 35' ' ' HIS . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.6 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 14.3 mmmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.894 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 35' ' ' HIS . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 22.4 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.902 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.902 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 13.2 mmmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.695 HG21 ' CG ' ' A' ' 35' ' ' HIS . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CG ' HG21 ' A' ' 17' ' ' THR . 72.4 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 48.83 41.73 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -77.81 143.61 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 77.72 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -131.13 159.23 38.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -165.85 146.21 6.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 -146.03 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.4 p -138.2 163.73 30.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.301 . . . . 0.0 111.164 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -67.33 114.52 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -38.82 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.1 mmmt -93.01 152.12 41.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.72 -29.7 23.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.946 ' HB3' HD22 ' A' ' 28' ' ' LEU . 26.2 m-85 -96.04 141.79 29.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -154.04 138.7 16.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.27 114.31 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.61 41.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 m -132.9 -53.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -115.41 9.08 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.7 t0 63.61 52.7 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 30.9 mttt -111.97 176.59 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 p -155.07 146.42 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.24 164.17 26.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 mtm-85 -92.87 -35.98 13.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -104.44 134.18 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -57.09 -34.22 68.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -71.56 -17.14 62.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.59 -36.09 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.946 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.18 -47.24 10.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.41 -27.23 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -89.74 -39.0 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 50.5 t60 -60.97 -38.76 87.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.67 -25.37 66.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.3 mtm -63.29 -43.31 98.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -52.75 -26.79 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -85.1 -21.27 29.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -85.5 43.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.11 -73.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.56 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.92 68.09 1.56 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.08 15.09 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.5 m -78.82 80.8 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.9 83.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 147.7 62.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 p -135.28 -177.21 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.4 t 60.5 44.04 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.198 -0.779 . . . . 0.0 112.48 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.4 t 36.01 41.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -115.96 88.44 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 171.67 49.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p 39.99 41.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 70.0 p -103.41 -44.58 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.2 -25.96 71.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -93.08 44.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.082 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -73.47 115.87 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 2.2 pm0 -37.78 -27.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ALA . 11.1 mmmt -123.22 152.55 64.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -19.42 36.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.7 m-85 -105.62 137.53 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 6' ' ' SER . 14.2 ttt180 -151.0 139.84 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.88 108.82 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -80.09 43.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 35' ' ' HIS . 18.6 m -134.27 -50.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -118.94 11.46 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 62.28 55.0 2.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -117.14 177.15 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -154.99 146.74 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 4.5 m-85 -131.13 172.13 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -105.19 -36.29 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -98.73 130.08 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 59.0 ttt-85 -54.13 -34.31 60.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.2 m -75.36 -13.57 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.81 -36.6 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -85.85 -47.95 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.1 m-20 -50.85 -27.82 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -88.4 -39.52 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -60.34 -42.11 95.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 36' ' ' THR . 26.6 mtm105 -59.04 -23.03 61.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.3 mtt -66.64 -44.45 81.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -51.13 -27.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 17' ' ' THR . 60.7 m-70 -83.64 -49.97 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 32' ' ' ARG . 44.2 p -39.91 -44.26 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.59 -141.85 10.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -108.31 42.74 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 1.3 mptp? -121.86 81.05 41.76 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.81 2.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -127.82 87.22 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.26 -173.5 32.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 p -118.77 41.84 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -78.08 -45.26 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -83.46 156.23 23.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -69.07 154.13 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.16 -39.71 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -98.93 94.46 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -170.79 128.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -109.87 1.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -142.11 168.76 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.8 146.39 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.2 -18.86 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -109.02 151.12 41.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.542 0.687 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -27.7 26.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.932 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.1 m-85 -94.84 134.36 37.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -152.21 137.11 17.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -87.87 117.04 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.65 38.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 m -129.37 -54.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.26 12.04 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 62.89 47.72 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -102.49 173.88 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.9 p -156.22 149.31 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 21' ' ' SER . 5.2 m-85 -139.61 168.73 19.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -98.33 -35.3 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -103.69 129.0 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 31.8 ttm180 -52.28 -34.47 46.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.4 t -69.85 -20.85 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -34.31 30.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.932 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.84 -48.26 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 60.9 m-20 -50.94 -27.7 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -92.05 -34.13 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 28.6 t60 -63.5 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -63.52 -25.6 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtt -63.4 -43.88 96.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -24.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -87.2 18.17 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.3 p -147.6 151.61 36.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.39 -135.45 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -86.31 175.04 8.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -128.93 143.55 49.14 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.519 0.676 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -110.08 149.15 30.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.17 168.09 18.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.6 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.254 . . . . 0.0 112.378 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -158.76 156.83 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.6 p -72.43 148.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.502 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.85 173.86 9.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -115.91 166.99 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.15 152.65 20.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -96.75 142.58 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -72.19 141.88 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 172.34 37.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -141.93 121.38 13.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.802 0.334 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 146.7 39.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -58.63 -21.24 53.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -103.51 152.68 38.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -28.84 24.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.95 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.7 m-85 -93.51 138.41 31.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -150.49 138.71 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -87.89 117.05 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -82.73 40.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.8 m -133.52 -56.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.3 19.14 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 53.32 52.57 13.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -110.13 176.52 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.2 p -154.99 145.3 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -130.22 177.28 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 6.3 mpt_? -103.07 -42.17 5.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -102.29 130.38 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 45.9 ttt180 -51.71 -35.13 41.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -67.95 -22.22 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.91 -36.02 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.95 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -84.7 -47.59 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -52.97 -27.01 17.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -89.59 -36.74 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -62.68 -40.67 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 36' ' ' THR . 28.6 mtm105 -60.56 -21.85 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 32.7 mtt -66.69 -40.83 88.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.62 -31.89 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' THR . 59.0 m-70 -78.24 -57.87 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ARG . 21.5 p -35.26 124.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.03 169.57 4.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.49 -176.5 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 2.0 mmmm 63.5 55.04 1.82 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -177.33 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.2 t -45.96 162.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.97 -69.35 0.34 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.6 2.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -50.55 161.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -114.22 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -133.9 141.55 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -64.02 -43.58 95.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 156.38 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -40.13 146.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -49.52 -48.82 47.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 162.01 11.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -146.85 146.76 30.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.74 137.33 31.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -45.62 -21.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' ' HG3' ' A' ' 23' ' ' ARG . 19.2 mmmt -117.78 153.53 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 -31.16 21.16 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.871 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.7 m-85 -82.2 130.49 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 -146.98 137.45 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -88.47 117.47 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -82.86 40.61 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 35' ' ' HIS . 12.6 m -133.58 -55.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.04 13.88 19.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.5 51.78 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -111.02 176.77 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p -151.99 146.62 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 10.0 m-85 -131.92 167.88 18.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HG3' ' CE ' ' A' ' 11' ' ' LYS . 24.6 ttp85 -101.33 -33.88 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -98.66 128.48 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 47.7 ttp180 -54.93 -33.45 62.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.1 t -78.12 -13.1 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.27 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.27 -47.86 8.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -52.5 -26.81 14.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -90.07 -37.85 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 56.4 t60 -61.83 -40.91 96.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 36' ' ' THR . 18.1 mtm105 -58.67 -22.99 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.8 mtt -66.35 -46.85 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -48.23 -27.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CG ' HG21 ' A' ' 17' ' ' THR . 63.6 m-70 -83.71 -47.79 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 32' ' ' ARG . 27.2 p -46.37 159.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 105.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.98 154.26 41.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -38.95 144.2 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 149.75 67.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -82.99 131.44 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.31 -64.32 4.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 136.19 32.49 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 m -75.19 85.94 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -142.79 157.53 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.438 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.51 131.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.829 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -87.37 171.58 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.43 -76.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t 51.09 40.85 26.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -100.36 108.18 20.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.49 155.63 51.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.6 p -141.54 119.87 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.37 142.77 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.85 -14.62 15.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -121.46 152.78 58.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -17.33 37.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.743 2.296 . . . . 0.0 112.354 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.862 ' HB3' HD22 ' A' ' 28' ' ' LEU . 23.5 m-85 -104.99 136.1 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 14' ' ' ARG . 17.9 ttp-105 -150.75 138.26 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.4 117.89 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -82.65 40.17 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.0 m -133.03 -55.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.9 p -112.1 8.4 20.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 63.59 45.29 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -103.36 176.85 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.6 p -154.22 146.81 24.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.5 m-85 -132.26 179.92 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -109.18 -38.19 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.96 130.36 45.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -53.47 -34.53 58.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 t -73.69 -16.01 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.38 -36.27 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.51 -47.97 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -52.66 -26.51 13.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -91.64 -38.81 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -59.48 -36.41 75.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -61.45 -27.38 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.526 ' O ' HG23 ' A' ' 36' ' ' THR . 8.0 mtm -61.62 -45.54 93.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -27.92 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.51 45.01 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 33' ' ' MET . 37.6 p -135.87 162.58 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -154.88 -53.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' GLY . 24.0 tt0 -34.58 143.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -105.52 131.37 21.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.34 13.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m 53.94 39.67 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.04 -156.64 28.17 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.63 65.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -118.95 43.83 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' GLY . 28.9 t -61.06 -45.5 94.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -65.91 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -123.61 123.81 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.59 155.05 17.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -174.35 176.86 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -159.76 115.34 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.94 140.94 3.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -173.78 144.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.34 149.98 40.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.4 -8.2 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -112.42 151.39 43.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.535 0.683 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.579 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -26.72 27.07 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.2 m-85 -94.36 138.02 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 20' ' ' LYS . 55.0 ttt180 -150.02 135.76 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -86.44 114.03 22.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -80.86 41.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.1 m -134.47 -53.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.28 15.86 15.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.92 51.04 11.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' ARG . 22.0 mttm -110.66 176.82 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 p -154.11 146.23 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -131.11 171.75 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -102.0 -29.35 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -108.0 127.27 53.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -52.55 -35.24 53.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.4 t -72.41 -18.67 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.09 29.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.96 -48.95 7.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -51.91 -27.54 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 t -90.49 -36.37 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 36.2 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.685 ' HE ' HD11 ' A' ' 28' ' ' LEU . 96.2 mtt180 -63.34 -22.93 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.82 -42.35 86.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -27.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CG ' HG21 ' A' ' 17' ' ' THR . 58.4 m-70 -81.04 -21.9 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -84.85 44.59 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.88 79.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.73 36.67 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 72.34 55.0 0.35 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.79 -48.39 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -162.62 177.09 9.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.34 94.36 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 5.95 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.5 m 59.14 51.11 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -90.12 131.59 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -143.95 123.95 13.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -119.67 89.03 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.03 96.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -78.14 89.18 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -110.3 160.53 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.52 156.48 32.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -122.21 147.41 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.153 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -50.49 125.21 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.32 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 9' ' ' ALA . 20.3 mmmt -114.41 152.62 46.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.76 -18.08 37.21 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.9 m-85 -104.98 137.59 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -150.68 138.18 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.1 t -87.52 119.56 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -84.72 38.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 HG21 ' CG ' ' A' ' 35' ' ' HIS . 23.8 m -130.59 -57.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.1 p -114.68 24.72 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER 48.76 54.99 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -111.82 176.21 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 p -155.14 145.37 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -129.87 -179.59 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -108.36 -41.68 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -99.96 130.26 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 39.5 ttp180 -51.54 -37.3 48.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -68.49 -20.34 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.36 -34.91 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.94 -49.1 7.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 53.3 m-20 -50.62 -28.09 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -88.33 -37.54 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 40.3 t60 -61.65 -38.87 89.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -59.51 -25.25 64.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.878 ' O ' HG23 ' A' ' 36' ' ' THR . 45.1 mtt -63.85 -47.72 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -46.27 -30.87 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.4 m-70 -82.11 -75.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 33' ' ' MET . 27.5 p 33.6 47.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.72 66.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -140.79 142.83 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -40.81 139.36 1.19 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.25 59.53 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -62.09 -44.38 96.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.35 123.71 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -12.08 32.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -119.02 88.93 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 p -69.99 155.88 39.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.489 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -131.09 169.99 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.814 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -51.01 -45.96 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.81 -143.48 26.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -75.28 154.77 37.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -124.22 128.7 49.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.47 109.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -168.91 159.46 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.158 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.65 138.52 34.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -52.1 -16.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -110.25 150.99 42.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.53 30.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.921 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.4 m-85 -102.59 139.85 37.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -151.27 138.5 19.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.25 117.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.74 38.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -129.57 -56.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.09 17.06 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 56.39 53.34 8.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -111.09 177.0 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 p -154.4 145.69 22.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -131.19 170.92 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -101.93 -33.46 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -102.46 127.24 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 23.7 ttp180 -53.32 -32.27 48.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -77.8 -16.53 58.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.81 -34.66 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.921 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -84.79 -50.24 7.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.467 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 21.6 m-20 -49.42 -28.72 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -86.88 -37.81 17.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' CE1' HD11 ' A' ' 34' ' ' ILE . 53.4 t60 -61.27 -42.35 98.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -56.88 -21.52 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.411 ' O ' HG23 ' A' ' 36' ' ' THR . 14.2 mtt -67.55 -46.37 72.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -48.59 -27.18 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -85.35 21.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 33' ' ' MET . 13.4 p -122.54 -43.64 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.07 -87.98 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 54.35 24.95 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 17.8 ttmm -41.7 102.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.5 Cg_endo -69.74 159.78 52.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m -107.45 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.36 -75.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -108.89 88.63 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 m -126.25 133.33 51.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -125.95 150.45 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -121.39 169.61 10.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.12 126.05 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -110.23 115.47 29.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -151.49 158.51 43.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.25 -48.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.5 t -73.81 138.38 44.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -144.99 120.54 10.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.1 tm-20 -34.02 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.8 mmmt -122.38 152.41 60.97 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.557 0.694 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.585 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -22.89 31.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.6 m-85 -99.42 134.93 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -150.44 138.85 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -89.54 116.71 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -82.36 39.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -131.71 -55.19 1.01 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.51 15.04 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 56.87 54.2 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -112.74 176.19 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -155.33 145.95 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.5 m-85 -130.89 179.04 6.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -108.8 -35.78 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -99.75 127.62 45.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -53.12 -34.59 57.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.4 t -75.44 -15.58 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.19 -35.8 25.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.934 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -85.22 -48.68 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -50.61 -27.67 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -88.83 -37.67 15.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 48.7 t60 -62.38 -40.06 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 13.2 mtp-105 -60.7 -26.33 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 36' ' ' THR . 26.7 mtt -61.99 -45.44 93.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.37 -29.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -82.88 41.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 33' ' ' MET . 57.2 p -130.15 43.08 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.81 160.73 8.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 55.35 44.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 pttm -115.12 144.35 31.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.555 0.693 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -163.58 127.79 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.58 -156.28 16.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.03 47.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -80.12 -48.51 13.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.7 p -116.47 152.83 33.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -84.41 161.63 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -96.21 150.15 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.78 64.54 2.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 p -80.95 42.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -153.39 114.32 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.75 -84.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.48 128.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -84.21 123.53 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.42 -24.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.8 mmmt -107.53 154.58 40.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.73 -32.79 18.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.943 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.2 m-85 -81.03 131.23 35.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -147.32 137.92 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.0 t -88.0 117.29 26.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -82.83 38.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -131.49 -52.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.37 8.12 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.55 54.87 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -114.76 176.94 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 p -152.05 145.51 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 9.5 m-85 -131.17 159.49 37.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CE ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -90.0 -35.37 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -103.27 134.02 47.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 32.7 ttp180 -58.87 -28.96 66.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -76.56 -18.98 58.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.2 -34.8 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.943 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.4 -48.63 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -51.02 -27.56 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 t -90.62 -38.74 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.1 t60 -60.49 -36.6 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 12.5 mtp-105 -62.06 -26.83 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.9 mtm -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.34 -26.45 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.4 -53.98 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' ARG . 21.9 p -37.93 132.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.38 121.36 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -165.13 118.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -67.13 143.1 97.54 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.87 44.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.9 t -41.96 -44.25 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.63 91.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 97.07 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -61.63 166.63 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -67.54 124.52 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.496 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -82.19 44.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -157.89 150.51 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 -99.71 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -73.57 136.04 43.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -174.18 140.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.63 163.11 54.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -41.41 -60.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 120.68 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -39.7 -34.62 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.6 mmmt -124.75 151.77 68.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -31.32 20.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.9 m-85 -91.01 137.87 32.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -151.68 136.28 17.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.13 118.69 25.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.99 40.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.478 HG21 ' CG ' ' A' ' 35' ' ' HIS . 20.1 m -132.61 -56.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -111.57 9.8 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.23 41.28 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -100.23 177.04 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -154.02 147.33 24.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.2 m-85 -132.68 175.69 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -106.97 -35.43 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -101.22 128.34 47.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 54.0 ttt180 -53.43 -30.9 42.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 t -74.29 -19.26 60.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.42 -34.05 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -87.09 -45.45 10.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.1 m-20 -56.25 -25.56 48.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -94.58 -32.78 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 39.5 t60 -65.49 -38.29 89.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -61.57 -26.49 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.4 mtt -62.33 -44.92 95.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.45 -27.06 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.9 m-70 -85.22 47.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.7 p -142.37 174.34 10.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.35 -133.3 6.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -84.91 70.41 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -142.45 134.17 13.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 80.36 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 m -155.78 175.6 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.3 64.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.13 21.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m 41.41 41.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -75.55 141.61 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -163.08 146.48 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -160.28 172.54 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.95 74.05 0.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -116.12 41.25 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -134.28 100.28 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.28 -47.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -62.89 134.36 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.9 141.55 33.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.97 -17.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -109.24 151.61 42.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -21.51 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.929 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.3 m-85 -104.21 142.78 33.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -153.94 136.33 14.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.35 114.79 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -82.66 41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.41 HG21 ' CG ' ' A' ' 35' ' ' HIS . 16.4 m -134.29 -54.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.29 16.14 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.14 55.04 6.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -113.28 176.04 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.3 p -154.85 144.91 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -129.4 172.77 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -99.23 -41.1 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -104.11 133.62 48.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.7 ttp-105 -53.54 -34.99 60.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -68.06 -19.68 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.8 -36.41 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.929 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -85.37 -47.23 10.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 30.4 m-20 -51.6 -27.4 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -89.55 -37.87 14.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' CE1' HD11 ' A' ' 34' ' ' ILE . 41.8 t60 -61.92 -37.28 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -61.03 -27.18 68.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.536 ' O ' HG23 ' A' ' 36' ' ' THR . 27.4 mtt -61.15 -43.76 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -52.1 -27.06 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CG ' HG21 ' A' ' 17' ' ' THR . 61.4 m-70 -85.91 45.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 33' ' ' MET . 39.5 p -134.29 113.13 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -100.8 1.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -89.59 126.85 35.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 10.0 ptmm? -109.42 109.41 60.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.76 127.04 14.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.36 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 p -73.25 127.56 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.0 -169.56 7.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 123.59 10.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -79.85 134.08 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t 57.35 42.08 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -161.29 155.0 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -174.96 113.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.02 -179.73 33.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -152.75 133.91 14.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -115.96 -40.93 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.06 108.29 2.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.8 p -78.74 156.83 28.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -42.81 129.14 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -42.3 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' ALA . 24.4 mmmt -115.94 152.6 47.76 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.54 0.686 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.75 -28.63 25.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.935 ' HB3' HD22 ' A' ' 28' ' ' LEU . 31.6 m-85 -95.84 143.41 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -152.54 137.71 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.3 t -89.25 109.99 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -80.79 41.15 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -131.34 -51.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.8 p -118.68 11.58 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 62.78 54.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -115.98 178.71 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.4 p -155.94 145.7 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -131.29 175.86 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -103.76 -35.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -104.82 129.58 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 55.2 ttt85 -52.45 -32.75 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 t -72.84 -20.82 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.0 -32.33 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.935 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -89.13 -48.92 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 43.2 m-20 -52.77 -26.68 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 t -90.82 -38.71 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.72 -39.44 84.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 36' ' ' THR . 36.0 mtp180 -60.65 -22.55 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.9 mtt -67.01 -44.32 80.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.5 -28.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -81.06 -39.45 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 32' ' ' ARG . 22.6 p -56.43 120.38 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.93 -146.29 9.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -57.59 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.895 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 38' ' ' GLU . 11.9 ptmt 30.25 55.02 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -169.82 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.232 . . . . 0.0 112.34 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 m -115.63 42.59 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.44 176.94 14.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.2 p 42.37 42.77 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 p -100.05 162.9 12.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.499 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -89.43 93.63 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.362 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t -114.89 41.95 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.19 138.72 15.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -43.93 -45.6 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 48.33 40.95 15.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -119.82 -52.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.7 t -38.11 145.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -141.97 108.5 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.0 mm-40 -34.61 -39.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE3' ' HD2' ' A' ' 12' ' ' PRO . 10.4 mmmt -124.42 151.3 66.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.79 -29.98 22.85 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.0 m-85 -90.68 138.29 31.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -153.11 136.55 15.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.1 114.98 25.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -81.09 41.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -134.53 -54.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.96 10.75 17.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.1 t70 61.31 49.21 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -108.81 176.97 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 p -154.92 146.65 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 6.0 m-85 -131.86 171.87 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 mtt85 -104.5 -36.02 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.71 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 17.6 ttp-105 -54.17 -33.73 58.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.5 m -77.44 -12.65 59.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.47 -34.96 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.2 tp -87.62 -47.98 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.476 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 73.6 m-20 -50.51 -27.79 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.1 t -88.77 -39.75 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 52.9 t60 -60.23 -39.74 87.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 36' ' ' THR . 60.2 mtm180 -60.13 -23.4 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.7 mtt -65.95 -44.61 84.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -50.68 -28.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' THR . 61.7 m-70 -83.2 -52.67 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 32' ' ' ARG . 43.6 p -35.28 122.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.59 59.29 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.45 85.31 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.9 154.15 60.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.562 0.696 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.88 23.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -56.09 140.33 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.785 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.08 137.94 9.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -4.06 13.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.2 p -81.87 157.71 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -150.7 171.11 17.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -62.32 117.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -112.93 130.75 56.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.91 92.58 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 m -118.71 -50.59 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -87.16 -41.02 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.51 89.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.8 p -110.75 121.16 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB2' ' HE ' ' A' ' 14' ' ' ARG . . . -150.2 130.34 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -49.08 -18.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -112.46 151.04 43.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.76 -22.02 32.67 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.332 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.94 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.1 m-85 -104.56 144.12 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.622 ' HE ' ' HB2' ' A' ' 9' ' ' ALA . 15.1 ttm105 -153.48 136.45 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -86.39 118.53 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -85.14 41.99 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 35' ' ' HIS . 34.5 m -135.0 -56.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -113.76 17.84 17.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 55.25 50.76 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -108.93 177.7 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 p -155.41 145.34 21.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.7 m-85 -130.4 171.44 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -99.03 -38.62 8.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -103.88 131.61 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 19.3 ttp-105 -53.19 -34.18 55.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -69.36 -22.39 63.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -34.21 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -87.42 -49.86 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 38.2 m-20 -50.54 -27.91 7.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 t -89.81 -38.11 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' HD11 ' A' ' 34' ' ' ILE . 42.2 t60 -61.22 -37.42 82.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 36' ' ' THR . 9.7 mtp-105 -60.39 -25.13 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.9 mtt -63.81 -45.26 90.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -49.81 -26.56 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 17' ' ' THR . 62.6 m-70 -85.76 -55.55 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 32' ' ' ARG . 24.6 p -35.91 142.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.6 -159.69 35.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.527 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.94 81.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 10.7 ttmt -94.74 139.4 22.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.81 0.4 5.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.31 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 5.3 t -34.02 -60.73 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.11 135.57 5.59 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.1 p -110.42 41.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.2 p -151.55 164.68 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -61.26 -58.19 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -149.55 162.3 40.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.2 102.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -121.76 129.66 52.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' OG ' ' NH1' ' A' ' 14' ' ' ARG . 23.8 t -42.06 114.43 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.09 -90.5 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -141.13 154.64 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -124.4 116.9 23.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.7 tp10 -33.27 -37.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.3 mmmt -117.14 153.99 49.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.544 0.687 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.79 -29.51 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.239 . . . . 0.0 112.41 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.944 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.4 m-85 -85.59 134.87 33.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' NH1' ' OG ' ' A' ' 6' ' ' SER . 70.9 ttt180 -151.1 138.18 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.0 115.18 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -81.34 42.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -135.01 -53.84 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.22 14.86 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.56 54.78 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.6 mttt -112.46 175.67 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -153.8 145.05 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -130.96 167.4 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 11' ' ' LYS . 6.4 ttt180 -98.41 -36.92 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.85 129.71 46.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -54.61 -32.29 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -76.07 -16.56 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.43 -34.7 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -86.15 -48.13 8.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -50.28 -27.84 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -87.92 -40.12 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 51.1 t60 -59.9 -38.91 83.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 36' ' ' THR . 40.3 mtp180 -60.96 -25.21 66.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.4 mtm -63.31 -42.89 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 ' H ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -53.03 -29.1 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -82.84 -45.26 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 32' ' ' ARG . 48.5 p -43.45 -42.01 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.01 -157.44 45.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -143.97 156.69 44.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -172.77 148.3 1.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.85 4.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.661 2.241 . . . . 0.0 112.35 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.1 p -66.26 113.96 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.38 162.86 9.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -8.72 24.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.4 p -81.44 128.44 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.2 t -137.49 149.47 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -55.68 109.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.387 . . . . 0.0 110.83 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -144.39 142.66 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 150.08 18.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.58 108.49 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -63.28 -49.93 72.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.78 -151.01 12.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 t -116.94 -37.81 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.795 0.331 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -137.84 115.37 11.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.0 pt-20 -36.93 -27.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . 19.6 mmmt -117.3 152.67 49.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -23.35 30.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.894 ' HB3' HD22 ' A' ' 28' ' ' LEU . 13.3 m-85 -97.68 135.8 38.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -150.34 138.53 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.79 117.56 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -82.33 40.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 35' ' ' HIS . 13.8 m -134.09 -56.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 19' ' ' ASP . 25.6 p -114.39 24.02 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 18' ' ' CYS . 4.7 p-10 48.34 53.87 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 25.8 mttm -110.61 176.92 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.9 p -155.79 146.79 22.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.05 173.9 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -105.19 -32.06 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -103.97 129.32 51.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' ND2' ' A' ' 29' ' ' ASN . 29.4 ttp180 -54.25 -28.53 42.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.8 t -78.06 -17.95 56.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.0 -33.14 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -88.9 -48.51 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' ND2' ' HG2' ' A' ' 25' ' ' ARG . 48.2 m-20 -52.58 -27.22 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -92.49 -35.59 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 32.3 t60 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -61.51 -26.03 67.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.2 mtt -63.55 -46.92 83.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.07 -27.74 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 17' ' ' THR . 68.1 m-70 -84.85 39.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.6 p -134.11 154.76 50.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.1 -81.65 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.43 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.27 59.54 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -129.78 71.33 82.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.47 32.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -60.24 88.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . 72.81 -138.74 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.6 Cg_endo -69.77 148.21 64.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 t -140.41 106.37 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.1 p -47.74 -31.12 4.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 m -123.55 101.72 7.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.922 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 p -171.02 147.76 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.8 131.83 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -149.5 165.87 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -39.72 101.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.39 -157.45 28.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.7 t -67.97 -36.8 80.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 111.133 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.75 143.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -61.16 -15.42 33.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 10' ' ' GLU . 22.4 mmmt -119.84 153.18 54.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.78 -22.83 31.42 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.902 ' HB3' HD22 ' A' ' 28' ' ' LEU . 14.9 m-85 -98.73 139.31 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -151.51 134.57 15.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.96 113.24 20.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.57 40.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -133.84 -55.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.99 11.03 18.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 t0 62.05 52.42 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -111.53 -179.02 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.417 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 7.2 p -156.62 150.25 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 5.4 m-85 -136.98 170.0 16.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -100.82 -35.72 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -98.8 128.33 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 66.9 ttp85 -55.43 -22.31 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -83.76 -18.38 38.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.57 -35.56 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.902 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.5 -49.33 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -53.62 -27.11 25.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -91.52 -34.63 14.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.423 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 47.7 t60 -64.54 -39.12 93.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 36' ' ' THR . 68.1 mtm180 -60.62 -22.29 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.4 mtt -68.13 -46.18 71.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.99 -31.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -78.12 -54.05 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 32' ' ' ARG . 32.1 p -37.33 -46.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.21 -109.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -80.19 124.37 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 39.7 tttp -100.85 140.0 20.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.78 -30.35 22.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.0 p -76.5 -57.2 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.47 167.34 39.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.91 7.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -76.66 85.02 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -145.14 166.61 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.511 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -131.52 42.03 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -70.96 162.81 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.62 109.07 2.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -44.15 -58.39 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 t -169.76 167.33 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.04 -154.35 11.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.7 p -139.87 143.67 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 11' ' ' LYS . . . -85.12 118.75 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.8 tp10 -37.07 -28.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.2 mmmt -118.5 153.12 51.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -28.49 25.4 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.3 m-85 -93.17 135.84 33.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -150.13 137.88 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.02 113.98 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.8 5.4 5.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.695 HG21 ' CG ' ' A' ' 35' ' ' HIS . 2.2 m -91.93 -63.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 p -106.87 8.63 30.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.05 41.51 6.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -97.85 -177.06 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -155.75 145.33 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 4.6 m-85 -132.06 174.71 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.7 mtt85 -105.37 -36.18 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -100.66 128.8 46.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 25' ' ' ARG . 17.4 ttm105 -52.57 -35.73 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.0 t -71.98 -17.67 62.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.05 -35.38 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -86.74 -49.81 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -52.18 -27.55 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -91.07 -34.82 14.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 38.0 t60 -64.95 -36.44 84.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 36' ' ' THR . 77.8 mtm180 -60.78 -23.47 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.437 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 11.4 mtt -66.94 -48.74 67.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.29 -32.25 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.695 ' CG ' HG21 ' A' ' 17' ' ' THR . 72.4 m-70 -79.49 -68.01 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -52.77 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.48 -99.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -48.4 100.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -43.5 141.53 2.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -174.48 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -90.59 -57.21 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.5 145.78 17.81 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 119.5 6.43 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 m -164.97 163.98 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 m -60.53 162.23 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_