data_2ebt_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 2ebt _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 ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.508 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.429 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . 0.429 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.429 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.268 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.464 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 384' ' ' TYR . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 383' ' ' VAL . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.539 ' CE2' ' OG ' ' A' ' 417' ' ' SER . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.539 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.862 0.276 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 452' ' ' MET . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CE2' HD12 ' A' ' 448' ' ' LEU . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.418 HD12 ' CE2' ' A' ' 442' ' ' PHE . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 435' ' ' CYS . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.526 ' CD1' HG13 ' A' ' 383' ' ' VAL . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.482 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.403 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.403 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 387' ' ' SER . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 417' ' ' SER . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . 0.469 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.469 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . 0.542 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.802 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 448' ' ' LEU . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' A' ' 433' ' ' PHE . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 442' ' ' PHE . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 437' ' ' VAL . 8.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . 0.43 ' CE1' ' OG ' ' A' ' 387' ' ' SER . 9.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.414 ' CG ' HG13 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.414 HG13 ' CG ' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' A' ' 373' ' ' HIS . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.415 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.821 0.259 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.471 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 31.6 m120 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.335 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.414 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.792 0.247 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 375' ' ' CYS . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.515 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 393' ' ' HIS . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 382' ' ' LYS . 11.0 t60 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 32.7 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 408' ' ' GLU . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.823 0.26 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 384' ' ' TYR . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.458 ' N ' HG22 ' A' ' 383' ' ' VAL . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.839 0.266 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 448' ' ' LEU . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 442' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.486 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.814 0.256 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.416 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 47.9 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.34 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' SER . . . . . 0.549 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.821 0.259 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.522 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . 0.412 ' C ' HG11 ' A' ' 383' ' ' VAL . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.412 HG11 ' C ' ' A' ' 382' ' ' LYS . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 82.2 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 421' ' ' THR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . 0.412 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 422' ' ' ARG . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.849 0.27 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.401 ' C ' HD22 ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.533 ' CD1' HG23 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 374' ' ' TYR . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.437 ' N ' HG12 ' A' ' 383' ' ' VAL . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.84 0.267 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.546 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.546 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.511 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 384' ' ' TYR . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.439 ' N ' HG13 ' A' ' 383' ' ' VAL . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.815 0.256 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.415 ' CB ' ' H ' ' A' ' 440' ' ' ARG . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 449' ' ' ALA . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 20.8 t60 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.791 0.329 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.46 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.531 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.807 0.253 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.506 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.487 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.558 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 391' ' ' LYS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . 0.417 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.489 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.854 0.273 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.443 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . 0.412 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.469 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.793 0.247 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . 0.468 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 387' ' ' SER . 70.9 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 375' ' ' CYS . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 373' ' ' HIS . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.88 0.283 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . 0.404 ' CB ' HD23 ' A' ' 390' ' ' LEU . 62.6 m-70 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 375' ' ' CYS . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.77 0.237 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 3.4 t60 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . 0.48 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . 0.427 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.427 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.809 0.254 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 5.4 p30 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.481 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 387' ' ' SER . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.802 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' SER . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 93.4 p -128.71 -40.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 29.2 m -65.46 176.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.05 171.08 37.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.8 t -174.07 129.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 76.7 p -129.65 172.98 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -174.45 147.27 9.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -170.23 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.37 173.96 13.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -150.63 152.09 33.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -165.41 164.01 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.5 159.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -79.57 104.46 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.74 170.5 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.22 122.2 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -94.01 130.81 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.508 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 -68.35 -41.59 80.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.21 125.19 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -174.4 -131.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -173.46 135.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -133.34 81.4 55.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.429 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . 0.429 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.429 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p -85.54 28.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -142.34 -103.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -107.02 154.79 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.471 ' CD ' ' HD2' ' A' ' 432' ' ' PRO . 8.0 tppt? -128.67 136.43 29.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 431' ' ' LYS . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 -59.95 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.44 171.6 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 18.7 m -156.44 177.7 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 89.2 p -169.98 176.19 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.47 164.02 24.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.6 t -175.03 147.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.7 t -167.6 174.28 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 171.65 138.53 2.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.98 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -153.21 123.45 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.83 155.51 2.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -161.2 155.5 22.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -164.95 148.71 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -173.53 136.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -85.33 178.47 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . 0.488 ' C ' ' CD2' ' A' ' 373' ' ' HIS . 69.9 mt -143.91 155.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 372' ' ' ILE . 28.1 m-70 -150.38 131.14 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.464 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 372' ' ' ILE . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.445 ' N ' HG21 ' A' ' 383' ' ' VAL . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.87 -49.23 75.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.0 p -72.12 140.0 48.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -120.58 -86.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -136.2 131.97 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -128.3 89.18 50.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.509 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.539 ' CE2' ' OG ' ' A' ' 417' ' ' SER . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.539 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -84.44 22.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.26 99.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -103.79 114.27 28.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -81.4 162.75 57.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . 0.4 ' SG ' ' SD ' ' A' ' 452' ' ' MET . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.418 ' CE2' HD12 ' A' ' 448' ' ' LEU . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.418 HD12 ' CE2' ' A' ' 442' ' ' PHE . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 435' ' ' CYS . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -44.91 -47.68 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 456' ' ' GLN . 4.2 pt20 -49.36 123.12 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 67.2 m -104.96 158.98 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 t -99.62 -59.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.46 132.8 5.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 79.8 p -160.58 171.56 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 34.3 p -157.71 166.77 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 169.04 19.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -146.29 118.91 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 367' ' ' LEU . 0.0 OUTLIER -90.0 -179.63 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.52 149.01 52.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -108.7 95.06 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -132.67 128.89 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.96 154.22 29.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.11 135.49 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -104.97 118.34 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.526 ' CD1' HG13 ' A' ' 383' ' ' VAL . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.482 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.403 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.403 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 387' ' ' SER . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -90.4 1.89 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 37.1 p -61.19 -59.73 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 102.89 159.23 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.06 118.39 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.85 85.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 417' ' ' SER . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . 0.469 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.469 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -84.47 30.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -158.14 -143.42 3.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -54.87 160.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -122.89 141.43 35.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.542 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo -69.73 -22.57 32.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 448' ' ' LEU . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' A' ' 433' ' ' PHE . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 442' ' ' PHE . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 437' ' ' VAL . 8.0 m-70 -58.81 -52.9 63.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -70.36 161.91 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.3 t -174.56 163.5 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 49.4 p -166.43 177.24 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 176.76 155.15 12.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.2 m -160.91 177.05 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.2 m -173.23 166.68 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.61 118.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 162.27 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.9 pp -170.67 158.32 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -167.69 164.92 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.17 128.01 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -157.19 149.86 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 13.8 ttp-105 -138.93 138.64 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 49.6 mt -131.86 142.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.43 ' CE1' ' OG ' ' A' ' 387' ' ' SER . 9.8 m-70 -110.76 119.57 39.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.414 ' CG ' HG13 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.414 HG13 ' CG ' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' A' ' 373' ' ' HIS . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -68.82 -42.56 77.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.6 m -38.81 129.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -64.42 -114.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -156.37 117.17 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm -130.63 93.46 31.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.415 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -73.66 -21.18 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 71.32 -161.06 54.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -70.9 -57.66 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -60.94 159.72 25.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo -69.8 -10.18 27.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.327 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.471 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 31.6 m120 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 -62.68 -49.59 74.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -44.32 163.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 43.0 t -173.78 150.84 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 5.5 t -169.09 173.78 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -169.14 -174.61 37.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.9 m -165.28 165.25 19.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 65.2 p -170.12 160.09 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -176.82 94.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.64 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.97 159.05 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 47.7 mt -148.62 169.38 20.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -163.58 150.33 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -163.11 115.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -112.18 157.56 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -119.21 131.71 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 16.0 mm -135.01 129.83 51.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -92.9 92.99 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.414 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 -68.7 -43.21 76.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 397' ' ' HIS . 54.9 m -37.57 120.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 401' ' ' LYS . . . -163.86 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.61 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 399' ' ' GLY . 12.1 mmtp -127.98 77.0 77.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t -99.42 30.96 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.79 -117.95 4.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -124.68 125.25 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.39 110.29 64.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -0.12 6.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -81.68 -34.87 30.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -85.86 55.85 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.2 t -166.42 153.08 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -168.36 137.32 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.22 148.98 17.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.9 m -169.28 177.58 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.7 t -173.66 174.76 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -178.63 87.55 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 174.79 8.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -161.63 143.25 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 90.0 mt -155.22 170.09 22.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.52 170.38 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -146.02 125.23 12.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -170.82 144.13 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -131.72 87.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . 0.429 HG23 ' CZ ' ' A' ' 374' ' ' TYR . 35.9 mm -132.56 151.26 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.2 120.21 13.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.429 ' CZ ' HG23 ' A' ' 372' ' ' ILE . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.515 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.515 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 393' ' ' HIS . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 382' ' ' LYS . 11.0 t60 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -84.7 9.34 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.4 m -111.6 88.13 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 58.46 -110.72 2.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.46 171.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 32.7 mttt -126.75 72.66 74.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 408' ' ' GLU . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 429' ' ' GLY . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t -106.08 31.54 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -117.19 -100.03 2.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 429' ' ' GLY . . . -37.07 -45.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.95 126.74 15.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.15 33.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -56.45 -45.98 80.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -74.19 108.27 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 34.3 t -173.17 142.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 19.4 m -144.79 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 161.57 131.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 t -147.29 122.39 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 29.9 m -89.88 -59.61 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 72.42 83.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.59 16.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.396 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.48 108.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 4.7 mp -102.92 139.41 38.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -127.41 131.63 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -137.68 162.85 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 170.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -134.06 91.25 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.48 151.39 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -147.05 118.72 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 384' ' ' TYR . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.458 ' N ' HG22 ' A' ' 383' ' ' VAL . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -81.89 -41.28 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 114.42 28.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 84.17 112.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.77 -177.14 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -117.48 99.09 52.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p -74.49 -23.27 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -138.82 84.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -135.0 100.42 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -131.79 120.79 17.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' A' ' 448' ' ' LEU . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.422 HD13 ' CE2' ' A' ' 442' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.82 -66.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -57.44 115.73 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.4 t30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.1 t -167.94 173.34 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -172.86 152.04 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -129.28 -163.61 11.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.0 m -171.23 176.84 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 97.8 p -160.07 172.42 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -162.3 93.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -142.12 172.04 13.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 367' ' ' LEU . 0.6 OUTLIER -153.0 163.07 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -129.48 142.38 50.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -132.94 134.76 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.38 173.27 7.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . 0.422 ' C ' HG12 ' A' ' 372' ' ' ILE . 0.0 OUTLIER -108.46 148.6 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . 0.422 HG12 ' C ' ' A' ' 371' ' ' ARG . 23.5 mm -150.6 129.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -114.96 92.08 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.486 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 -57.2 -48.07 79.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 2.7 t -75.05 147.09 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 116.05 -168.46 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.72 139.49 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -111.49 70.47 0.82 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -99.43 29.93 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -134.45 168.02 23.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -134.88 89.02 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -88.43 125.6 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.91 27.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.416 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.416 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 -52.36 -55.09 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -47.63 143.53 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 8.1 t -174.58 177.03 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 21.0 m -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -155.28 -168.38 18.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.0 p -163.93 170.1 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 31.6 p -155.82 176.79 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -154.77 115.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -176.22 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 175.07 9.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 367' ' ' LEU . 0.6 OUTLIER -149.57 177.11 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -160.02 169.95 22.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -144.78 126.44 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -170.82 161.52 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 371' ' ' ARG . 0.0 OUTLIER -169.47 141.35 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 96.2 mt -148.91 145.44 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 47.9 m-70 -115.96 130.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' SER . . . . . 0.549 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 -56.5 -49.02 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -83.73 125.33 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 141.92 166.36 10.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -126.07 82.55 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.31 76.18 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p -87.84 31.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -117.8 -90.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -56.76 -61.01 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 441' ' ' SER . 32.6 mttt -124.15 98.39 38.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.527 0.68 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 431' ' ' LYS . 53.6 Cg_endo -69.73 -30.78 21.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' SER . . . . . 0.441 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.522 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -55.63 -49.09 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.82 177.11 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 68.9 p -172.76 175.1 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 4.1 m -168.93 173.11 7.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -133.03 -74.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 t 64.26 42.62 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 57.7 m -73.72 168.57 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -160.93 105.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -177.22 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.94 150.05 28.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.7 pp -138.42 161.88 35.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -148.69 148.61 30.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -127.52 125.5 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -139.32 117.99 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -170.01 160.67 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 27.1 mm -122.4 144.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -111.0 97.46 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . 0.412 ' C ' HG11 ' A' ' 383' ' ' VAL . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.412 HG11 ' C ' ' A' ' 382' ' ' LYS . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.72 -48.8 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 88.3 m -41.85 108.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 105.64 -150.27 16.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.23 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -121.07 101.55 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 421' ' ' THR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . 0.412 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 429' ' ' GLY . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t -101.96 29.64 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -93.04 -62.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -39.62 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -144.57 151.83 51.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.6 31.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.401 ' C ' HD22 ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 -50.18 -48.4 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -70.23 136.27 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -155.54 172.9 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 7.7 t -168.42 174.15 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 160.12 153.61 6.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.5 m -168.98 154.76 6.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.3 m -154.52 178.62 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 169.32 84.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.42 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -167.32 159.25 12.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.2 pp -168.35 164.05 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -159.41 146.56 16.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -133.63 143.86 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 385' ' ' THR . 2.2 tpp85 -148.43 133.89 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -105.34 168.07 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 13.5 mt -147.97 162.86 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -154.14 107.29 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.533 ' CD1' HG23 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.533 HG23 ' CD1' ' A' ' 374' ' ' TYR . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.437 ' N ' HG12 ' A' ' 383' ' ' VAL . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' THR . . . . . 0.46 ' CG2' ' HG3' ' A' ' 370' ' ' ARG . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 398' ' ' THR . 72.0 m-70 -63.27 -35.84 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 397' ' ' HIS . 1.2 t -34.0 144.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -145.74 60.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -93.34 -17.52 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.62 98.85 21.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p -94.09 -20.09 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -60.55 131.62 49.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -86.88 137.25 32.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -139.05 114.42 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo -69.8 -26.93 26.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.464 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.546 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.546 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 -61.85 -58.64 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 455' ' ' HIS . 81.5 mm-40 -34.86 114.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -173.17 164.59 4.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 58.8 m -156.91 176.51 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -157.68 171.05 34.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 69.5 m -158.28 172.7 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.0 t -174.98 178.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 172.6 145.51 5.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.81 11.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.85 135.15 21.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -147.23 160.78 42.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.24 43.58 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -113.71 143.65 44.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -127.81 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -170.12 165.73 9.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 6.6 mm -107.36 145.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -138.39 107.3 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.511 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 384' ' ' TYR . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.439 ' N ' HG13 ' A' ' 383' ' ' VAL . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 -66.28 -48.07 71.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 65.5 p -99.63 95.54 7.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -156.59 -172.96 24.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 401' ' ' LYS . 1.4 mp0 -109.32 -58.26 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER 36.67 54.54 2.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p -73.73 -24.38 59.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -95.33 -167.48 35.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.7 157.02 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 442' ' ' PHE . 30.1 mttp -119.23 159.38 45.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -27.69 26.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . 0.415 ' CB ' ' H ' ' A' ' 440' ' ' ARG . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 449' ' ' ALA . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 20.8 t60 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -76.68 -45.8 28.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -54.73 105.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 5.9 m -155.77 177.35 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 177.08 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -131.0 -158.05 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.1 p -157.93 173.0 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.8 m -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -124.17 122.03 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.23 61.0 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.34 168.76 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 mt -146.47 105.16 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -97.43 147.8 23.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.63 126.21 50.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -72.13 85.2 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 373' ' ' HIS . 55.2 mt -142.8 149.82 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.456 ' N ' HG21 ' A' ' 372' ' ' ILE . 10.3 m-70 -148.19 130.29 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.539 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 -79.13 -0.28 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 399' ' ' GLY . 30.1 p -126.98 163.39 23.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 398' ' ' THR . . . -35.61 134.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -133.19 171.81 13.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -116.67 99.59 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p -78.65 -25.05 44.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -63.8 -76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -91.11 162.57 14.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 432' ' ' PRO . 26.4 mtpt 62.98 53.99 1.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -44.38 -45.81 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.87 139.51 43.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.9 m -173.68 166.35 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.9 m -174.45 176.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 166.93 142.77 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.1 m -166.64 151.47 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.803 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 37.4 m -122.82 -63.34 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 78.75 135.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -169.39 130.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 41.4 mt -141.49 157.34 45.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -163.74 131.75 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -135.77 178.24 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -171.54 149.2 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -160.1 134.69 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 84.3 mt -146.68 144.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -108.36 130.28 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.46 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.474 ' O ' ' CG2' ' A' ' 398' ' ' THR . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -53.72 -31.43 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 395' ' ' ARG . 5.0 t -39.67 138.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -119.93 155.93 16.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 400' ' ' GLU . 0.8 OUTLIER -87.78 42.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 111.59 3.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.531 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p -87.65 30.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.42 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.31 146.3 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 106.64 14.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.05 36.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.506 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 -52.97 -46.26 68.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -51.54 147.01 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 28.1 t -168.45 137.27 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 24.4 p -174.7 175.61 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.31 -139.29 14.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.0 m -139.36 138.91 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 49.7 p -39.85 104.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -140.24 115.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.5 106.04 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 368' ' ' GLU . 14.6 mt -149.59 110.4 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 367' ' ' LEU . 7.2 pt-20 -34.24 148.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -75.93 -59.64 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -171.82 173.13 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 371' ' ' ARG . 1.7 ptp180 -128.25 146.69 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 373' ' ' HIS . 49.9 mm -112.93 150.97 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.406 ' N ' HG22 ' A' ' 372' ' ' ILE . 18.2 m-70 -137.05 114.64 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.487 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.558 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 391' ' ' LYS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -59.57 -43.35 93.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 75.9 p -96.08 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 400' ' ' GLU . . . -178.03 -34.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 399' ' ' GLY . 8.4 pt-20 32.86 45.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.392 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -51.15 127.08 28.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . 0.417 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.489 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p -90.31 30.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -84.04 -86.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.96 153.85 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' HD3' ' NE2' ' A' ' 434' ' ' GLN . 81.2 mttt -140.05 106.26 6.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.11 29.9 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . 0.45 ' NE2' ' HD3' ' A' ' 431' ' ' LYS . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.443 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.412 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 -57.97 -51.98 67.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.78 139.7 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 14.2 m -158.77 173.44 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.82 176.27 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 178.34 151.99 9.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.84 145.78 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.38 . . . . 0.0 110.874 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 73.8 p -137.13 172.55 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -155.73 123.16 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.19 4.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -149.83 171.87 16.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 4.6 pp -153.2 172.12 17.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -160.99 149.54 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -116.78 133.42 56.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -79.88 121.21 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 167.16 15.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 62.0 mt -135.63 145.74 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -86.16 143.47 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 -75.25 5.32 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 153.19 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -51.88 -103.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 401' ' ' LYS . 0.5 OUTLIER -129.93 -45.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm -65.94 111.6 6.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.469 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p -83.85 31.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 74.98 177.53 39.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -119.19 162.76 18.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 431' ' ' LYS . 7.5 mptt -125.15 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.522 0.677 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -1.99 9.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . 0.468 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 -45.17 -43.17 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -74.01 84.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 25.8 p -161.49 129.44 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -60.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 167.35 -150.4 16.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 35.5 p -169.11 176.75 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 20.3 m -142.84 175.1 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -105.26 130.28 10.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -176.11 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -111.93 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 367' ' ' LEU . 0.5 OUTLIER -127.81 177.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -157.37 169.73 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -145.64 173.25 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -126.06 133.21 51.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -139.22 175.3 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 50.4 mm -115.27 141.08 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 387' ' ' SER . 70.9 m-70 -102.42 115.1 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 375' ' ' CYS . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 373' ' ' HIS . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 -54.83 -45.55 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.3 m -123.56 90.51 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -97.86 42.24 2.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -104.21 43.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.957 0.408 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -129.43 72.78 81.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.448 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -90.4 30.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.07 -102.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -46.43 151.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -50.16 148.12 6.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.36 34.49 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -78.47 -54.99 5.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -41.33 110.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 2.1 t -167.89 137.26 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 2.6 t -162.97 171.61 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 173.03 153.03 9.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 5.6 m -158.21 154.54 27.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.1 t -157.48 152.6 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.02 64.79 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 120.85 7.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -141.84 108.48 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 4.2 pp -125.25 143.72 50.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -157.18 125.18 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.39 162.16 35.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -126.4 102.35 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -84.83 94.02 8.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 61.9 mt -133.12 130.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . 0.404 ' CB ' HD23 ' A' ' 390' ' ' LEU . 62.6 m-70 -101.12 122.8 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 375' ' ' CYS . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 398' ' ' THR . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -57.3 -38.19 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 395' ' ' ARG . 86.8 m -134.95 99.3 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 177.78 119.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.88 110.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt -121.67 74.15 33.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p -74.64 -27.35 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -64.1 132.49 39.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -73.65 81.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 156.04 85.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -1.79 9.09 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 3.4 t60 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.09 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . 0.476 ' CD ' ' C ' ' A' ' 456' ' ' GLN . 1.9 pp0? -71.76 132.76 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 t -171.84 174.02 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.77 175.27 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -168.68 -177.92 39.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 83.2 p -172.5 165.12 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.8 m -165.44 165.58 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -169.89 86.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -147.97 159.43 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.92 121.15 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.07 127.65 21.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -144.0 176.27 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -156.96 122.83 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 146.06 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.94 137.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -76.15 131.28 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . 0.48 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 -63.31 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 26.9 m -77.19 138.22 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -125.54 67.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -115.83 83.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -126.94 92.3 44.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . 0.427 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.427 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p -73.0 -19.81 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -76.79 125.76 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.03 158.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -143.54 159.33 54.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.561 0.696 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -14.04 35.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 5.4 p30 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.481 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -58.67 -73.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 157.72 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 23.7 p -174.87 176.12 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 51.9 p -172.82 171.4 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.45 163.86 24.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.3 m -168.27 163.93 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.2 t -175.14 177.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 174.54 124.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.62 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -158.57 163.56 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 367' ' ' LEU . 1.1 pt? -163.55 164.66 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -156.19 157.15 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -127.31 150.32 49.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -132.23 99.44 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -129.35 107.44 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 37.8 mm -125.58 156.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -130.51 93.62 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 387' ' ' SER . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 398' ' ' THR . 5.3 m-70 -57.13 -48.04 79.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 397' ' ' HIS . 29.7 p -34.26 142.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 47.93 88.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.7 -30.15 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? -116.22 96.95 48.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -75.81 -27.41 57.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -68.83 -86.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.19 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.38 138.71 32.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.62 14.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' SER . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -56.76 -49.52 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -55.35 93.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.422 ' HA ' HG12 ' A' ' 383' ' ' VAL . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.422 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.422 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.268 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 383' ' ' VAL . 33.0 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.469 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 373' ' ' HIS . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 402' ' ' PRO . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 406' ' ' THR . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.862 0.276 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 435' ' ' CYS . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 390' ' ' LEU . 39.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 375' ' ' CYS . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.484 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.601 ' HB3' HD22 ' A' ' 420' ' ' LEU . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 403' ' ' TYR . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 432' ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.802 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.403 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.403 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 8.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 5.9 m80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.434 ' CE1' HG11 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.434 HG11 ' CE1' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.422 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 406' ' ' THR . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.422 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 405' ' ' CYS . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 432' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.821 0.259 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.473 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 30.3 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.335 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.529 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 394' ' ' LEU . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 391' ' ' LYS . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 406' ' ' THR . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 405' ' ' CYS . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HG2' ' CE2' ' A' ' 433' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.792 0.247 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 375' ' ' CYS . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.633 HD23 ' HD2' ' A' ' 397' ' ' HIS . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.633 ' HD2' HD23 ' A' ' 394' ' ' LEU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 415' ' ' ALA . 32.7 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 427' ' ' HIS . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.498 ' HB2' ' HG2' ' A' ' 401' ' ' LYS . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.823 0.26 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 448' ' ' LEU . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.4 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 433' ' ' PHE . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.483 ' O ' HG23 ' A' ' 383' ' ' VAL . 42.8 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.528 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 373' ' ' HIS . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 406' ' ' THR . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.839 0.266 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 433' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.63 ' HB3' HD22 ' A' ' 390' ' ' LEU . 50.7 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.497 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 373' ' ' HIS . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 373' ' ' HIS . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.814 0.256 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.426 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 24.3 m80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.34 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.414 ' HG3' ' C ' ' A' ' 414' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 401' ' ' LYS . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 405' ' ' CYS . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.821 0.259 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.529 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.788 ' HB3' HD22 ' A' ' 390' ' ' LEU . 11.8 m80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.526 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 373' ' ' HIS . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 82.2 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.492 ' HB3' HD22 ' A' ' 420' ' ' LEU . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 403' ' ' TYR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ARG . . . . . 0.432 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ARG . . . . . 0.432 ' NH2' ' HG2' ' A' ' 422' ' ' ARG . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.849 0.27 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.594 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.5 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.482 ' HA ' HG22 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.443 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 373' ' ' HIS . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 390' ' ' LEU . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 432' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.84 0.267 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.729 ' O ' HG13 ' A' ' 383' ' ' VAL . 86.0 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 373' ' ' HIS . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.815 0.256 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 435' ' ' CYS . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 6.3 t-80 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.893 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.3 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.2 mppt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 448' ' ' LEU . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 433' ' ' PHE . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 450' ' ' LEU . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 26.1 m80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.791 0.329 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.463 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 406' ' ' THR . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.807 0.253 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 448' ' ' LEU . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.502 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 433' ' ' PHE . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.515 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.467 ' HB3' HD22 ' A' ' 390' ' ' LEU . 19.1 m80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.492 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 373' ' ' HIS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 14.4 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' TRP . . . . . 0.541 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' TRP . . . . . 0.421 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.411 ' C ' ' HG2' ' A' ' 401' ' ' LYS . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' HIS . . . . . 0.541 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.854 0.273 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 432' ' ' PRO . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' SER . . . . . 0.479 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' ARG . . . . . 0.428 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' HIS . . . . . 0.428 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.452 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 374' ' ' TYR . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.469 ' HB3' HD22 ' A' ' 420' ' ' LEU . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 403' ' ' TYR . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.793 0.247 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 387' ' ' SER . 70.9 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.425 ' HA ' HG12 ' A' ' 383' ' ' VAL . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 374' ' ' TYR . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 373' ' ' HIS . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 406' ' ' THR . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.88 0.283 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 18.3 m80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.578 ' CB ' HD22 ' A' ' 390' ' ' LEU . 62.6 m-70 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 374' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 383' ' ' VAL . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.4 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 374' ' ' TYR . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.578 HD22 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HA ' HD11 ' A' ' 420' ' ' LEU . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 405' ' ' CYS . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.77 0.237 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 1.5 t-80 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 19.0 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 377' ' ' TYR . . . . . 0.485 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 378' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 385' ' ' THR . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' LYS . . . . . 0.441 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 406' ' ' THR . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.809 0.254 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.4 p-10 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 373' ' ' HIS . . . . . 0.437 ' HB3' HD22 ' A' ' 390' ' ' LEU . 81.0 m-70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 373' ' ' HIS . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 402' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 403' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.802 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 433' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 93.4 p -128.71 -40.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 29.2 m -65.46 176.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.05 171.08 37.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.8 t -174.07 129.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 76.7 p -129.65 172.98 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -174.45 147.27 9.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -170.23 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.37 173.96 13.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 367' ' ' LEU . 2.4 pt? -150.63 152.09 33.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -165.41 164.01 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.5 159.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -79.57 104.46 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.74 170.5 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.22 122.2 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -94.01 130.81 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.422 ' HA ' HG12 ' A' ' 383' ' ' VAL . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 -68.35 -41.59 80.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 398' ' ' THR . 0.0 OUTLIER -88.21 125.19 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -174.4 -131.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -173.46 135.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -133.34 81.4 55.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.422 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.422 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p -85.54 28.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -142.34 -103.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -107.02 154.79 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.486 ' CD ' ' HD2' ' A' ' 432' ' ' PRO . 8.0 tppt? -128.67 136.43 29.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 431' ' ' LYS . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 -59.95 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.44 171.6 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 18.7 m -156.44 177.7 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 89.2 p -169.98 176.19 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.47 164.02 24.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.6 t -175.03 147.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.7 t -167.6 174.28 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 171.65 138.53 2.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.98 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -153.21 123.45 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.83 155.51 2.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -161.2 155.5 22.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -164.95 148.71 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -173.53 136.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.439 ' HE ' ' CE1' ' A' ' 373' ' ' HIS . 11.1 ttp180 -85.33 178.47 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 373' ' ' HIS . 69.9 mt -143.91 155.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 383' ' ' VAL . 33.0 m80 -150.38 131.14 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.469 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 373' ' ' HIS . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.87 -49.23 75.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.0 p -72.12 140.0 48.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -120.58 -86.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -136.2 131.97 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -128.3 89.18 50.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 402' ' ' PRO . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 406' ' ' THR . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -84.44 22.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.26 99.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -103.79 114.27 28.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -81.4 162.75 57.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 435' ' ' CYS . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 435' ' ' CYS . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -44.91 -47.68 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 456' ' ' GLN . 4.2 pt20 -49.36 123.12 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 67.2 m -104.96 158.98 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 t -99.62 -59.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.46 132.8 5.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 79.8 p -160.58 171.56 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 34.3 p -157.71 166.77 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 169.04 19.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -146.29 118.91 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.698 HD13 ' H ' ' A' ' 367' ' ' LEU . 0.0 OUTLIER -90.0 -179.63 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.52 149.01 52.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -108.7 95.06 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -132.67 128.89 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.96 154.22 29.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.11 135.49 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 390' ' ' LEU . 39.6 m-70 -104.97 118.34 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 375' ' ' CYS . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.484 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -90.4 1.89 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 37.1 p -61.19 -59.73 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 102.89 159.23 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.06 118.39 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.85 85.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.601 ' HB3' HD22 ' A' ' 420' ' ' LEU . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 403' ' ' TYR . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -84.47 30.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -158.14 -143.42 3.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -54.87 160.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -122.89 141.43 35.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo -69.73 -22.57 32.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.403 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.403 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 8.0 m-70 -58.81 -52.9 63.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -70.36 161.91 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.3 t -174.56 163.5 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 49.4 p -166.43 177.24 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 176.76 155.15 12.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.2 m -160.91 177.05 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.2 m -173.23 166.68 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.61 118.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 162.27 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.9 pp -170.67 158.32 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -167.69 164.92 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 370' ' ' ARG . 0.1 OUTLIER -162.17 128.01 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 370' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 369' ' ' LYS . 11.9 ptp180 -157.19 149.86 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 13.8 ttp-105 -138.93 138.64 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 49.6 mt -131.86 142.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -110.76 119.57 39.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.434 ' CE1' HG11 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.434 HG11 ' CE1' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -68.82 -42.56 77.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.6 m -38.81 129.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -64.42 -114.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -156.37 117.17 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm -130.63 93.46 31.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.422 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 406' ' ' THR . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.422 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 405' ' ' CYS . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -73.66 -21.18 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 71.32 -161.06 54.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -70.9 -57.66 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -60.94 159.72 25.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo -69.8 -10.18 27.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.327 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.473 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 -62.68 -49.59 74.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -44.32 163.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 43.0 t -173.78 150.84 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 5.5 t -169.09 173.78 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -169.14 -174.61 37.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.9 m -165.28 165.25 19.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 65.2 p -170.12 160.09 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -176.82 94.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.64 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.97 159.05 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 47.7 mt -148.62 169.38 20.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -163.58 150.33 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -163.11 115.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -112.18 157.56 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -119.21 131.71 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 16.0 mm -135.01 129.83 51.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 30.3 m-70 -92.9 92.99 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.529 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 394' ' ' LEU . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 391' ' ' LYS . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 -68.7 -43.21 76.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.541 HG23 ' HE3' ' A' ' 401' ' ' LYS . 54.9 m -37.57 120.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 401' ' ' LYS . . . -163.86 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.61 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.541 ' HE3' HG23 ' A' ' 398' ' ' THR . 12.1 mmtp -127.98 77.0 77.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 406' ' ' THR . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 405' ' ' CYS . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t -99.42 30.96 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.79 -117.95 4.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -124.68 125.25 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.39 110.29 64.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HG2' ' CE2' ' A' ' 433' ' ' PHE . 53.8 Cg_endo -69.73 -0.12 6.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -81.68 -34.87 30.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -85.86 55.85 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.2 t -166.42 153.08 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -168.36 137.32 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.22 148.98 17.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.9 m -169.28 177.58 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.7 t -173.66 174.76 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -178.63 87.55 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 174.79 8.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -161.63 143.25 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 90.0 mt -155.22 170.09 22.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.52 170.38 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -146.02 125.23 12.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -170.82 144.13 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -131.72 87.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 374' ' ' TYR . 35.9 mm -132.56 151.26 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.2 120.21 13.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 372' ' ' ILE . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 393' ' ' HIS . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 382' ' ' LYS . 11.0 t60 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.633 HD23 ' HD2' ' A' ' 397' ' ' HIS . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.633 ' HD2' HD23 ' A' ' 394' ' ' LEU . 29.1 m-70 -84.7 9.34 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.4 m -111.6 88.13 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 58.46 -110.72 2.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.46 171.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 415' ' ' ALA . 32.7 mttt -126.75 72.66 74.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 427' ' ' HIS . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.498 ' HB2' ' HG2' ' A' ' 401' ' ' LYS . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 429' ' ' GLY . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t -106.08 31.54 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -117.19 -100.03 2.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 429' ' ' GLY . . . -37.07 -45.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.95 126.74 15.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.15 33.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 448' ' ' LEU . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.4 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 433' ' ' PHE . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.8 m-70 -56.45 -45.98 80.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -74.19 108.27 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 34.3 t -173.17 142.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 19.4 m -144.79 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 161.57 131.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 t -147.29 122.39 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 29.9 m -89.88 -59.61 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 72.42 83.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.59 16.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.396 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.48 108.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 367' ' ' LEU . 4.7 mp -102.92 139.41 38.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -127.41 131.63 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -137.68 162.85 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 170.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -134.06 91.25 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.48 151.39 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.483 ' O ' HG23 ' A' ' 383' ' ' VAL . 54.6 m80 -147.05 118.72 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.528 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 373' ' ' HIS . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -81.89 -41.28 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 398' ' ' THR . 6.9 t -101.16 114.42 28.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 84.17 112.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.77 -177.14 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -117.48 99.09 52.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 406' ' ' THR . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 430' ' ' ALA . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p -74.49 -23.27 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -138.82 84.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 426' ' ' LYS . . . -135.0 100.42 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -131.79 120.79 17.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 433' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.82 -66.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -57.44 115.73 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.4 t30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.1 t -167.94 173.34 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -172.86 152.04 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -129.28 -163.61 11.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.0 m -171.23 176.84 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 97.8 p -160.07 172.42 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -162.3 93.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -142.12 172.04 13.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.0 163.07 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -129.48 142.38 50.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -132.94 134.76 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.38 173.27 7.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.416 ' C ' HG12 ' A' ' 372' ' ' ILE . 0.0 OUTLIER -108.46 148.6 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.722 HG23 HG11 ' A' ' 383' ' ' VAL . 23.5 mm -150.6 129.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.63 ' HB3' HD22 ' A' ' 390' ' ' LEU . 50.7 m-70 -114.96 92.08 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.497 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.722 HG11 HG23 ' A' ' 372' ' ' ILE . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 373' ' ' HIS . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 -57.2 -48.07 79.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 394' ' ' LEU . 2.7 t -75.05 147.09 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 116.05 -168.46 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.72 139.49 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -111.49 70.47 0.82 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -99.43 29.93 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -134.45 168.02 23.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -134.88 89.02 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -88.43 125.6 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.91 27.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.426 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 -52.36 -55.09 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -47.63 143.53 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 8.1 t -174.58 177.03 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 21.0 m -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -155.28 -168.38 18.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.0 p -163.93 170.1 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 31.6 p -155.82 176.79 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -154.77 115.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -176.22 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 175.07 9.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 367' ' ' LEU . 0.6 OUTLIER -149.57 177.11 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -160.02 169.95 22.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -144.78 126.44 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -170.82 161.52 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 371' ' ' ARG . 0.0 OUTLIER -169.47 141.35 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 96.2 mt -148.91 145.44 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 24.3 m80 -115.96 130.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 -56.5 -49.02 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -83.73 125.33 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 141.92 166.36 10.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 402' ' ' PRO . 19.5 tt0 -126.07 82.55 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.414 ' HG3' ' C ' ' A' ' 414' ' ' PHE . 0.1 OUTLIER -107.31 76.18 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 400' ' ' GLU . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 401' ' ' LYS . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 405' ' ' CYS . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p -87.84 31.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -117.8 -90.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -56.76 -61.01 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.443 ' HD3' ' CB ' ' A' ' 441' ' ' SER . 32.6 mttt -124.15 98.39 38.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.527 0.68 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 431' ' ' LYS . 53.6 Cg_endo -69.73 -30.78 21.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' SER . . . . . 0.443 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.529 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -55.63 -49.09 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.82 177.11 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 68.9 p -172.76 175.1 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 4.1 m -168.93 173.11 7.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -133.03 -74.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 t 64.26 42.62 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 57.7 m -73.72 168.57 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -160.93 105.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -177.22 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.94 150.05 28.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.7 pp -138.42 161.88 35.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -148.69 148.61 30.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -127.52 125.5 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -139.32 117.99 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.423 ' HD2' ' CE1' ' A' ' 373' ' ' HIS . 4.9 ptp180 -170.01 160.67 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 385' ' ' THR . 27.1 mm -122.4 144.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.788 ' HB3' HD22 ' A' ' 390' ' ' LEU . 11.8 m80 -111.0 97.46 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.526 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 372' ' ' ILE . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 373' ' ' HIS . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.72 -48.8 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 88.3 m -41.85 108.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 105.64 -150.27 16.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.23 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 82.2 mttt -121.07 101.55 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.492 ' HB3' HD22 ' A' ' 420' ' ' LEU . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 403' ' ' TYR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ARG . . . . . 0.432 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 429' ' ' GLY . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t -101.96 29.64 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -93.04 -62.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -39.62 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -144.57 151.83 51.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.6 31.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 -50.18 -48.4 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -70.23 136.27 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -155.54 172.9 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 7.7 t -168.42 174.15 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 160.12 153.61 6.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.5 m -168.98 154.76 6.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.3 m -154.52 178.62 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 169.32 84.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.42 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -167.32 159.25 12.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 367' ' ' LEU . 3.2 pp -168.35 164.05 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -159.41 146.56 16.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -133.63 143.86 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 385' ' ' THR . 2.2 tpp85 -148.43 133.89 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 372' ' ' ILE . 11.4 mmm180 -105.34 168.07 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 373' ' ' HIS . 13.5 mt -147.97 162.86 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.594 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.5 m-70 -154.14 107.29 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.482 ' HA ' HG22 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.443 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 373' ' ' HIS . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 390' ' ' LEU . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 385' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 370' ' ' ARG . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 398' ' ' THR . 72.0 m-70 -63.27 -35.84 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 397' ' ' HIS . 1.2 t -34.0 144.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -145.74 60.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -93.34 -17.52 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 0.0 OUTLIER -129.62 98.85 21.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p -94.09 -20.09 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -60.55 131.62 49.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -86.88 137.25 32.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -139.05 114.42 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo -69.8 -26.93 26.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 -61.85 -58.64 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 455' ' ' HIS . 81.5 mm-40 -34.86 114.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -173.17 164.59 4.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 58.8 m -156.91 176.51 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -157.68 171.05 34.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 69.5 m -158.28 172.7 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.0 t -174.98 178.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 172.6 145.51 5.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.81 11.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.85 135.15 21.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 367' ' ' LEU . 1.4 pt? -147.23 160.78 42.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.24 43.58 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -113.71 143.65 44.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -127.81 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -170.12 165.73 9.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 6.6 mm -107.36 145.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.729 ' O ' HG13 ' A' ' 383' ' ' VAL . 86.0 m-70 -138.39 107.3 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 373' ' ' HIS . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 -66.28 -48.07 71.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 65.5 p -99.63 95.54 7.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -156.59 -172.96 24.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 401' ' ' LYS . 1.4 mp0 -109.32 -58.26 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER 36.67 54.54 2.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p -73.73 -24.38 59.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -95.33 -167.48 35.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.7 157.02 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 442' ' ' PHE . 30.1 mttp -119.23 159.38 45.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -27.69 26.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 435' ' ' CYS . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 20.8 t60 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -76.68 -45.8 28.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -54.73 105.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 5.9 m -155.77 177.35 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 177.08 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -131.0 -158.05 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.1 p -157.93 173.0 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.8 m -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -124.17 122.03 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.23 61.0 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.34 168.76 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 mt -146.47 105.16 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -97.43 147.8 23.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.63 126.21 50.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -72.13 85.2 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 55.2 mt -142.8 149.82 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.893 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.3 m-70 -148.19 130.29 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 -79.13 -0.28 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 399' ' ' GLY . 30.1 p -126.98 163.39 23.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 398' ' ' THR . . . -35.61 134.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -133.19 171.81 13.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.2 mppt? -116.67 99.59 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p -78.65 -25.05 44.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -63.8 -76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -91.11 162.57 14.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 432' ' ' PRO . 26.4 mtpt 62.98 53.99 1.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 448' ' ' LEU . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 433' ' ' PHE . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 450' ' ' LEU . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -44.38 -45.81 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.87 139.51 43.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.9 m -173.68 166.35 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.9 m -174.45 176.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 166.93 142.77 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.1 m -166.64 151.47 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.803 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 37.4 m -122.82 -63.34 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 78.75 135.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -169.39 130.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 41.4 mt -141.49 157.34 45.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -163.74 131.75 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -135.77 178.24 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -171.54 149.2 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -160.1 134.69 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 84.3 mt -146.68 144.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -108.36 130.28 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.463 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 398' ' ' THR . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -53.72 -31.43 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 395' ' ' ARG . 5.0 t -39.67 138.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -119.93 155.93 16.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 400' ' ' GLU . 0.8 OUTLIER -87.78 42.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 111.59 3.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 406' ' ' THR . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p -87.65 30.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.42 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.31 146.3 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 106.64 14.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.05 36.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 448' ' ' LEU . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.502 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 433' ' ' PHE . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.515 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 -52.97 -46.26 68.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -51.54 147.01 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 28.1 t -168.45 137.27 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 24.4 p -174.7 175.61 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.31 -139.29 14.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.0 m -139.36 138.91 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 49.7 p -39.85 104.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -140.24 115.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.5 106.04 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 368' ' ' GLU . 14.6 mt -149.59 110.4 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 367' ' ' LEU . 7.2 pt-20 -34.24 148.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -75.93 -59.64 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -171.82 173.13 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 371' ' ' ARG . 1.7 ptp180 -128.25 146.69 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.93 150.97 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.467 ' HB3' HD22 ' A' ' 390' ' ' LEU . 18.2 m-70 -137.05 114.64 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.492 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 373' ' ' HIS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -59.57 -43.35 93.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 75.9 p -96.08 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 400' ' ' GLU . . . -178.03 -34.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 399' ' ' GLY . 8.4 pt-20 32.86 45.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.392 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 14.4 mptt -51.15 127.08 28.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' TRP . . . . . 0.541 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' TRP . . . . . 0.421 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.411 ' C ' ' HG2' ' A' ' 401' ' ' LYS . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' HIS . . . . . 0.541 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p -90.31 30.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -84.04 -86.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.96 153.85 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.465 ' HD3' ' NE2' ' A' ' 434' ' ' GLN . 81.2 mttt -140.05 106.26 6.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 53.7 Cg_endo -69.79 -24.11 29.9 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 432' ' ' PRO . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 431' ' ' LYS . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' SER . . . . . 0.479 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.428 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' HIS . . . . . 0.428 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.452 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 -57.97 -51.98 67.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.78 139.7 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 14.2 m -158.77 173.44 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.82 176.27 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 178.34 151.99 9.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.84 145.78 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.38 . . . . 0.0 110.874 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 73.8 p -137.13 172.55 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -155.73 123.16 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.19 4.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -149.83 171.87 16.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 367' ' ' LEU . 4.6 pp -153.2 172.12 17.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -160.99 149.54 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -116.78 133.42 56.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -79.88 121.21 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 167.16 15.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 62.0 mt -135.63 145.74 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -86.16 143.47 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 374' ' ' TYR . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 -75.25 5.32 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 153.19 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -51.88 -103.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 401' ' ' LYS . 0.5 OUTLIER -129.93 -45.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm -65.94 111.6 6.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.469 ' HB3' HD22 ' A' ' 420' ' ' LEU . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 403' ' ' TYR . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p -83.85 31.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 74.98 177.53 39.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -119.19 162.76 18.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 431' ' ' LYS . 7.5 mptt -125.15 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.522 0.677 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -1.99 9.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 -45.17 -43.17 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -74.01 84.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 25.8 p -161.49 129.44 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -60.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 167.35 -150.4 16.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 35.5 p -169.11 176.75 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 20.3 m -142.84 175.1 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -105.26 130.28 10.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -176.11 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -111.93 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 367' ' ' LEU . 0.5 OUTLIER -127.81 177.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -157.37 169.73 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -145.64 173.25 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -126.06 133.21 51.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -139.22 175.3 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 50.4 mm -115.27 141.08 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -102.42 115.1 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.425 ' HA ' HG12 ' A' ' 383' ' ' VAL . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 374' ' ' TYR . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 -54.83 -45.55 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.3 m -123.56 90.51 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -97.86 42.24 2.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -104.21 43.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.957 0.408 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -129.43 72.78 81.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 406' ' ' THR . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -90.4 30.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.07 -102.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -46.43 151.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -50.16 148.12 6.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.36 34.49 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -78.47 -54.99 5.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.33 110.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 2.1 t -167.89 137.26 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 2.6 t -162.97 171.61 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 173.03 153.03 9.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 5.6 m -158.21 154.54 27.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.1 t -157.48 152.6 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.02 64.79 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 120.85 7.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -141.84 108.48 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 4.2 pp -125.25 143.72 50.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -157.18 125.18 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.39 162.16 35.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -126.4 102.35 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -84.83 94.02 8.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 61.9 mt -133.12 130.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.578 ' CB ' HD22 ' A' ' 390' ' ' LEU . 62.6 m-70 -101.12 122.8 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 383' ' ' VAL . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.4 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 374' ' ' TYR . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.578 HD22 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 398' ' ' THR . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -57.3 -38.19 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 395' ' ' ARG . 86.8 m -134.95 99.3 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 177.78 119.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.88 110.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt -121.67 74.15 33.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HA ' HD11 ' A' ' 420' ' ' LEU . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 405' ' ' CYS . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p -74.64 -27.35 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -64.1 132.49 39.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -73.65 81.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 156.04 85.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -1.79 9.09 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 3.4 t60 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.09 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLN . . . . . 0.476 ' CD ' ' C ' ' A' ' 456' ' ' GLN . 1.9 pp0? -71.76 132.76 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 t -171.84 174.02 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.77 175.27 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -168.68 -177.92 39.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 83.2 p -172.5 165.12 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.8 m -165.44 165.58 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -169.89 86.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -147.97 159.43 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.92 121.15 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.07 127.65 21.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -144.0 176.27 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -156.96 122.83 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 146.06 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.94 137.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 20.4 m80 -76.15 131.28 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 377' ' ' TYR . . . . . 0.485 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 378' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 385' ' ' THR . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 -63.31 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 26.9 m -77.19 138.22 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -125.54 67.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -115.83 83.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -126.94 92.3 44.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' LYS . . . . . 0.441 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 406' ' ' THR . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p -73.0 -19.81 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -76.79 125.76 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.03 158.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -143.54 159.33 54.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.561 0.696 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -14.04 35.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.4 p-10 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -58.67 -73.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 157.72 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 23.7 p -174.87 176.12 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 51.9 p -172.82 171.4 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.45 163.86 24.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.3 m -168.27 163.93 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.2 t -175.14 177.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 174.54 124.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.62 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -158.57 163.56 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 367' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 367' ' ' LEU . 1.1 pt? -163.55 164.66 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -156.19 157.15 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -127.31 150.32 49.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -132.23 99.44 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -129.35 107.44 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 372' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 373' ' ' HIS . 37.8 mm -125.58 156.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 373' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 372' ' ' ILE . 81.0 m-70 -130.51 93.62 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 373' ' ' HIS . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 398' ' ' THR . 5.3 m-70 -57.13 -48.04 79.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 397' ' ' HIS . 29.7 p -34.26 142.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 47.93 88.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.7 -30.15 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? -116.22 96.95 48.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -75.81 -27.41 57.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -68.83 -86.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.19 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.38 138.71 32.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.62 14.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -56.76 -49.52 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -55.35 93.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.422 ' HA ' HG12 ' A' ' 383' ' ' VAL . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.422 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.422 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.268 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 383' ' ' VAL . 28.1 m-70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.469 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 373' ' ' HIS . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 402' ' ' PRO . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 406' ' ' THR . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.862 0.276 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 435' ' ' CYS . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 390' ' ' LEU . 39.6 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 375' ' ' CYS . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.484 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.601 ' HB3' HD22 ' A' ' 420' ' ' LEU . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 403' ' ' TYR . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.802 0.251 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.403 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.403 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 8.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.43 ' CE1' ' OG ' ' A' ' 387' ' ' SER . 9.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.434 ' CE1' HG11 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.434 HG11 ' CE1' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' A' ' 373' ' ' HIS . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.422 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 406' ' ' THR . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.422 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 405' ' ' CYS . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.821 0.259 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.473 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 31.6 m120 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 30.3 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.335 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.529 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 394' ' ' LEU . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 391' ' ' LYS . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 406' ' ' THR . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 405' ' ' CYS . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HG2' ' CE2' ' A' ' 433' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.792 0.247 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 375' ' ' CYS . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 393' ' ' HIS . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 382' ' ' LYS . 11.0 t60 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.633 HD23 ' HD2' ' A' ' 397' ' ' HIS . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.633 ' HD2' HD23 ' A' ' 394' ' ' LEU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 415' ' ' ALA . 32.7 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 427' ' ' HIS . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.498 ' HB2' ' HG2' ' A' ' 401' ' ' LYS . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.823 0.26 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 448' ' ' LEU . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.4 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 433' ' ' PHE . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.483 ' O ' HG23 ' A' ' 383' ' ' VAL . 42.8 m-70 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.528 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 373' ' ' HIS . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 406' ' ' THR . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.839 0.266 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 433' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.63 ' HB3' HD22 ' A' ' 390' ' ' LEU . 50.7 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.497 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 373' ' ' HIS . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 373' ' ' HIS . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.814 0.256 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.426 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 47.9 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.34 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . 0.546 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.414 ' HG3' ' C ' ' A' ' 414' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 401' ' ' LYS . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 405' ' ' CYS . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.821 0.259 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.529 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.788 ' HB3' HD22 ' A' ' 390' ' ' LEU . 13.4 m-70 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.814 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.526 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 373' ' ' HIS . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 82.2 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.492 ' HB3' HD22 ' A' ' 420' ' ' LEU . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 403' ' ' TYR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . 0.432 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . 0.432 ' NH2' ' HG2' ' A' ' 422' ' ' ARG . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.849 0.27 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.594 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.5 m-70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.482 ' HA ' HG22 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.443 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 373' ' ' HIS . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 390' ' ' LEU . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.84 0.267 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.729 ' O ' HG13 ' A' ' 383' ' ' VAL . 86.0 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 373' ' ' HIS . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.815 0.256 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 435' ' ' CYS . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 20.8 t60 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.893 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.3 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.2 mppt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 448' ' ' LEU . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 433' ' ' PHE . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 450' ' ' LEU . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.791 0.329 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.463 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 406' ' ' THR . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.807 0.253 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 448' ' ' LEU . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.502 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 433' ' ' PHE . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.515 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.467 ' HB3' HD22 ' A' ' 390' ' ' LEU . 18.2 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.492 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 373' ' ' HIS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 14.4 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . 0.541 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . 0.421 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.411 ' C ' ' HG2' ' A' ' 401' ' ' LYS . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . 0.541 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.854 0.273 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 432' ' ' PRO . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . 0.479 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . 0.428 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . 0.428 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.452 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 374' ' ' TYR . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.469 ' HB3' HD22 ' A' ' 420' ' ' LEU . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 403' ' ' TYR . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.793 0.247 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 387' ' ' SER . 70.9 m-70 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.425 ' HA ' HG12 ' A' ' 383' ' ' VAL . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 374' ' ' TYR . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 373' ' ' HIS . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 406' ' ' THR . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.88 0.283 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.578 ' CB ' HD22 ' A' ' 390' ' ' LEU . 62.6 m-70 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 383' ' ' VAL . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.4 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 374' ' ' TYR . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.578 HD22 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HA ' HD11 ' A' ' 420' ' ' LEU . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 405' ' ' CYS . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.77 0.237 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 3.4 t60 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 19.0 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . 0.485 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 385' ' ' THR . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . 0.441 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 406' ' ' THR . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.14 0 CA-C-O 120.809 0.254 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 5.4 p30 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 373' ' ' HIS . . . . . 0.437 ' HB3' HD22 ' A' ' 390' ' ' LEU . 81.0 m-70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 373' ' ' HIS . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.802 0.251 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 93.4 p -128.71 -40.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 29.2 m -65.46 176.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.05 171.08 37.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.8 t -174.07 129.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 76.7 p -129.65 172.98 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -174.45 147.27 9.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -170.23 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.37 173.96 13.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 367' ' ' LEU . 2.4 pt? -150.63 152.09 33.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -165.41 164.01 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.5 159.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -79.57 104.46 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.74 170.5 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 33.4 mt -87.22 122.2 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -94.01 130.81 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.422 ' HA ' HG12 ' A' ' 383' ' ' VAL . 11.4 m-85 -108.61 123.78 49.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.7 t -50.69 125.74 13.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -81.85 41.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.5 t80 -119.01 140.06 28.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.662 0.744 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.1 Cg_endo -69.86 130.44 19.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.301 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 88.18 -46.48 3.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 43.8 t -50.7 138.88 17.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 40.8 p -127.52 35.35 4.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.3 136.17 45.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.454 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 34.1 m -134.27 161.64 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 31.1 m-85 -158.27 139.4 13.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 21.6 p -85.61 35.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -143.55 142.42 31.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 29.0 p -84.71 -21.89 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.1 p -84.26 -42.6 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -64.95 -40.5 95.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 26.6 tp -59.24 -56.25 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -46.22 -41.17 12.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -67.76 -49.22 63.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.44 -35.87 13.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -44.15 -32.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 76.4 p -69.07 -40.87 78.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 57.1 m-70 -68.35 -41.59 80.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 398' ' ' THR . 0.0 OUTLIER -88.21 125.19 34.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -174.4 -131.52 1.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -173.46 135.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -133.34 81.4 55.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -38.81 7.29 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.422 ' CZ ' ' OG ' ' A' ' 417' ' ' SER . 89.7 m-85 -66.71 119.2 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -120.85 140.22 52.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 53.0 t -71.67 107.85 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 68.2 p -80.31 48.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 427' ' ' HIS . 65.5 t-105 -106.47 160.76 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.02 115.04 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 98.16 -45.69 1.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.66 131.74 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -131.39 31.66 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -91.18 172.04 8.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 65.8 mtt85 -147.61 155.6 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.34 169.32 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -104.47 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -89.14 133.0 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.422 ' OG ' ' CZ ' ' A' ' 403' ' ' TYR . 17.6 m -57.29 -48.6 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.94 -43.8 86.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -50.37 -51.64 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.18 -57.77 11.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 87.3 m -37.88 -53.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.62 -48.99 79.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -55.34 -46.52 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.22 -36.97 61.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -47.89 -42.34 26.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -50.59 -41.01 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 407' ' ' TRP . 72.7 m-70 -73.33 -41.47 63.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 58.2 p -85.54 28.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -142.34 -103.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -107.02 154.79 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.486 ' CD ' ' HD2' ' A' ' 432' ' ' PRO . 8.0 tppt? -128.67 136.43 29.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.71 2.79 3.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 445' ' ' SER . 69.2 m-85 -144.16 112.88 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -137.73 129.79 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.35 176.03 3.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.423 ' O ' ' ND2' ' A' ' 439' ' ' ASN . . . -105.06 -56.36 0.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.424 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 88.3 t -61.47 -67.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.98 -23.91 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 436' ' ' GLY . 28.3 m120 59.09 39.05 23.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -92.28 178.62 5.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.7 m -120.76 145.2 47.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 431' ' ' LYS . 97.8 m-85 -135.6 158.25 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.8 t -88.16 -46.49 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -99.08 158.3 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.507 ' HB3' ' CE1' ' A' ' 433' ' ' PHE . 84.8 p -79.49 -54.69 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -42.87 -43.93 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -55.62 -47.13 77.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 16.1 tp -60.89 -51.5 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.55 26.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.44 -36.17 82.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 452' ' ' MET . 15.0 t60 -53.06 -49.59 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 451' ' ' HIS . 4.5 mmt -35.99 -45.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 452' ' ' MET . 62.7 mmtt -36.57 -51.07 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -46.76 -47.6 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 68.7 m-70 -59.95 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.44 171.6 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 18.7 m -156.44 177.7 11.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 89.2 p -169.98 176.19 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.47 164.02 24.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.6 t -175.03 147.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.7 t -167.6 174.28 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 171.65 138.53 2.57 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -175.98 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -153.21 123.45 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -173.83 155.51 2.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -161.2 155.5 22.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -164.95 148.71 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -173.53 136.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -85.33 178.47 7.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.488 ' C ' ' CD2' ' A' ' 373' ' ' HIS . 69.9 mt -143.91 155.71 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 383' ' ' VAL . 28.1 m-70 -150.38 131.14 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -104.11 132.34 50.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 49.3 t -46.86 134.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.43 40.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.469 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 8.5 t80 -119.79 138.14 26.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.699 0.761 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 111.32 -37.64 3.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 50.8 t -65.62 130.7 44.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.0 p -113.88 39.03 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -93.03 154.74 17.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 373' ' ' HIS . 7.2 p -157.39 138.39 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -132.53 129.43 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -45.13 -51.59 10.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 389' ' ' HIS . 25.1 mmtt -96.36 147.85 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 82.6 p -73.69 -13.72 61.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 50.7 m -68.85 -46.32 68.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 386' ' ' LYS . 8.9 m170 -64.42 -37.82 88.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.5 -58.39 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.47 -43.72 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 394' ' ' LEU . 11.0 t60 -60.21 -53.49 57.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 393' ' ' HIS . 12.3 mt -35.67 -45.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 394' ' ' LEU . 50.7 mtp180 -37.51 -50.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 78.6 p -40.99 -49.34 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.87 -49.23 75.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 45.0 p -72.12 140.0 48.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -120.58 -86.22 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -136.2 131.97 35.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -128.3 89.18 50.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 403' ' ' TYR . 53.2 Cg_endo -69.79 -12.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 402' ' ' PRO . 37.0 m-85 -99.13 123.68 43.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -126.26 154.64 43.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 41.7 t -81.7 117.45 22.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 406' ' ' THR . 28.3 m -81.81 43.34 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -107.66 160.77 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 29.6 mp0 -81.15 111.35 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 105.93 -40.79 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.05 120.95 17.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -120.5 30.23 7.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -89.75 164.15 14.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 40.8 mtm-85 -143.04 176.25 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -150.13 162.63 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -94.21 167.5 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 403' ' ' TYR . 40.0 m -81.21 -42.89 20.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -57.03 -47.23 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -46.13 -53.92 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 41.9 tp -55.94 -42.53 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 25.6 m -53.44 -52.16 60.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 51.9 ttm-85 -63.31 -32.1 73.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -71.5 -36.69 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 425' ' ' ARG . 4.3 t80 -65.94 -48.73 70.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 424' ' ' TYR . 37.9 mtp85 -34.98 -54.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -44.87 -47.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 424' ' ' TYR . 45.7 m-70 -56.23 -42.81 77.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -84.44 22.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.26 99.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -103.79 114.27 28.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -81.4 162.75 57.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -145.82 116.22 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -129.19 150.9 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -79.31 -179.41 6.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -113.26 -58.08 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 89.0 t -60.36 -60.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 19.6 p -85.28 -22.11 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.4 m120 58.84 48.38 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -95.7 165.47 12.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 93.5 p -96.97 151.08 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.77 171.54 14.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 5.5 m -102.28 -38.94 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -121.8 173.55 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 79.3 p -88.13 -16.11 34.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . 0.45 ' OD1' ' CD2' ' A' ' 447' ' ' HIS . 1.5 p30 -80.82 -31.35 35.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . 0.45 ' CD2' ' OD1' ' A' ' 446' ' ' ASP . 28.5 m170 -73.15 -40.09 65.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 435' ' ' CYS . 16.6 tp -65.43 -39.51 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.49 -23.51 50.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -85.46 -44.6 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.4 ' SD ' ' SG ' ' A' ' 435' ' ' CYS . 55.9 mmm -43.91 -55.86 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -63.42 -27.36 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -59.38 -33.95 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -44.91 -47.68 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 456' ' ' GLN . 4.2 pt20 -49.36 123.12 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 67.2 m -104.96 158.98 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.357 . . . . 0.0 110.876 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 t -99.62 -59.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.46 132.8 5.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 79.8 p -160.58 171.56 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 34.3 p -157.71 166.77 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 169.04 19.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -146.29 118.91 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.698 HD13 ' H ' ' A' ' 367' ' ' LEU . 0.0 OUTLIER -90.0 -179.63 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.52 149.01 52.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -108.7 95.06 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -132.67 128.89 38.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -78.96 154.22 29.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 5.2 mp -120.11 135.49 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 390' ' ' LEU . 39.6 m-70 -104.97 118.34 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 375' ' ' CYS . 3.3 m-30 -90.17 129.51 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 374' ' ' TYR . 52.1 t -35.94 128.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.85 36.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.484 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.8 t80 -118.0 139.24 26.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.949 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.73 113.68 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.43 -41.77 2.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.58 146.35 45.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.2 p -119.48 -10.55 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -59.71 143.27 51.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 9.3 m -135.84 -175.23 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 83.4 m-85 -159.52 116.51 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 97.1 m -45.48 -39.93 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 389' ' ' HIS . 12.0 mtpp -109.41 153.32 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 390' ' ' LEU . 47.8 t -76.07 -53.38 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 387' ' ' SER . 6.3 t -36.97 -42.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 386' ' ' LYS . 15.5 m170 -74.13 -40.56 62.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.7 tp -50.46 -36.15 32.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -54.16 -49.62 68.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -53.03 -17.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -87.71 -51.87 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 18.1 mt -52.41 -36.49 54.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -50.09 -35.41 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 50.7 p -82.59 -21.76 35.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -90.4 1.89 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 37.1 p -61.19 -59.73 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 102.89 159.23 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.06 118.39 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.85 85.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.38 34.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.601 ' HB3' HD22 ' A' ' 420' ' ' LEU . 91.8 m-85 -80.06 111.78 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -121.21 127.01 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 18.8 t -54.94 109.76 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 37.7 p -76.21 47.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 16.4 t-105 -107.4 159.62 16.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -83.55 110.75 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.08 -36.11 4.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 38.6 t -65.39 137.99 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.9 33.43 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -96.72 165.57 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.423 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 90.9 mtt180 -151.92 173.06 15.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 81.6 m-85 -152.56 153.82 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.22 -40.32 27.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -104.66 137.23 42.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 403' ' ' TYR . 1.0 OUTLIER -51.06 -57.16 9.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -42.44 -55.27 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -44.24 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 403' ' ' TYR . 15.0 tp -57.23 -53.84 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 89.4 m -38.75 -50.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.74 -53.53 57.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 423' ' ' HIS . 3.5 t60 -55.24 -38.46 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 425' ' ' ARG . 27.4 t80 -59.37 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 424' ' ' TYR . 2.6 mmp_? -38.36 -49.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -44.62 -47.35 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 84.5 m-70 -60.32 -45.4 93.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -84.47 30.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -158.14 -143.42 3.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -54.87 160.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -122.89 141.43 35.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.544 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 54.2 Cg_endo -69.73 -22.57 32.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 432' ' ' PRO . 43.5 m-85 -155.94 112.8 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -115.12 115.26 26.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -56.26 174.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.95 -63.28 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.403 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 76.1 t -55.61 -67.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.91 -34.09 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 4.4 m120 71.16 43.63 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -90.79 176.35 6.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 58.7 p -113.25 151.81 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -139.61 170.77 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.7 p -104.07 -45.69 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -104.69 168.78 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 49.4 m -76.01 -58.12 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -43.21 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -47.07 -46.33 22.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.79 -57.28 11.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.96 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.53 -52.68 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -42.91 -39.89 2.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 23.1 mmm -43.66 -39.23 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 9.4 pttp -38.61 -48.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 10.1 mmt180 -59.83 -49.01 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.403 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 8.0 m-70 -58.81 -52.9 63.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -70.36 161.91 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.3 t -174.56 163.5 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 49.4 p -166.43 177.24 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 176.76 155.15 12.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.2 m -160.91 177.05 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.2 m -173.23 166.68 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.61 118.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 162.27 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.9 pp -170.67 158.32 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -167.69 164.92 14.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 370' ' ' ARG . 0.1 OUTLIER -162.17 128.01 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 369' ' ' LYS . 11.9 ptp180 -157.19 149.86 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 13.8 ttp-105 -138.93 138.64 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 49.6 mt -131.86 142.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.43 ' CE1' ' OG ' ' A' ' 387' ' ' SER . 9.8 m-70 -110.76 119.57 39.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.434 ' CE1' HG11 ' A' ' 383' ' ' VAL . 4.1 m-85 -94.11 119.95 33.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 38.5 t -44.86 125.97 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -81.67 41.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 14.9 t80 -118.21 139.27 26.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.697 0.76 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.9 Cg_endo -69.74 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.43 -51.31 1.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 10.4 t -54.14 133.05 44.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 68.4 p -121.33 41.58 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -108.97 139.57 43.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.434 HG11 ' CE1' ' A' ' 374' ' ' TYR . 6.1 m -131.75 161.76 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -149.89 133.9 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 29.4 p -59.83 -44.94 93.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -89.05 158.96 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . 0.43 ' OG ' ' CE1' ' A' ' 373' ' ' HIS . 56.8 m -81.9 -60.51 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.2 t -38.99 -51.82 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -49.19 -43.14 42.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.96 -42.73 94.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -51.43 -53.82 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -54.15 -42.55 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -63.98 -51.8 62.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 395' ' ' ARG . 27.1 mt -37.93 -49.67 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 394' ' ' LEU . 38.0 mtp180 -37.04 -50.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 57.8 p -40.52 -45.62 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -68.82 -42.56 77.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.6 m -38.81 129.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -64.42 -114.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -156.37 117.17 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 26.3 mtmm -130.63 93.46 31.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.4 Cg_endo -69.81 -21.19 33.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -81.1 118.6 22.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.422 ' HD2' ' NH1' ' A' ' 413' ' ' ARG . 57.9 tttm -120.74 145.6 47.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 45.0 t -72.44 114.51 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.523 ' O ' HG22 ' A' ' 406' ' ' THR . 21.0 m -82.74 45.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -107.37 160.94 15.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.4 115.4 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 96.61 -50.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.24 134.15 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.44 38.9 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -93.0 156.95 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.422 ' NH1' ' HD2' ' A' ' 404' ' ' LYS . 50.4 mtp85 -133.57 169.97 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -150.04 160.31 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.34 -44.76 10.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -89.65 141.92 28.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.0 p -65.25 -19.1 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.24 -40.38 21.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.56 -37.25 67.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 405' ' ' CYS . 26.5 tp -74.79 -46.76 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.7 m -58.26 -40.9 83.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -68.8 -35.12 76.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -71.11 -55.81 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 425' ' ' ARG . 12.8 t80 -40.84 -50.34 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 424' ' ' TYR . 43.4 mtp180 -38.02 -54.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 -48.55 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -54.13 -48.81 70.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -73.66 -21.18 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 71.32 -161.06 54.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -70.9 -57.66 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -60.94 159.72 25.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.3 Cg_endo -69.8 -10.18 27.9 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.327 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.473 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 12.7 m-85 -143.5 121.26 11.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -134.65 135.94 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.6 -178.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -119.57 -55.38 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.63 -55.01 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.6 p -89.19 -27.9 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 31.6 m120 65.89 50.49 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -104.84 142.16 35.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 61.7 p -90.36 148.57 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -147.16 134.29 20.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.8 t -72.89 -44.97 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -86.66 139.71 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 80.1 p -69.62 -43.28 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.95 -46.9 75.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -45.79 -41.3 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.79 -57.9 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.33 -49.75 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.76 -40.2 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 453' ' ' LYS . 7.8 mmt -42.24 -44.04 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 452' ' ' MET . 29.4 mmtm -35.46 -41.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -65.48 -51.03 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 452' ' ' MET . 5.7 m-70 -62.68 -49.59 74.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -44.32 163.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 43.0 t -173.78 150.84 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 5.5 t -169.09 173.78 6.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -169.14 -174.61 37.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.9 m -165.28 165.25 19.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 65.2 p -170.12 160.09 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -176.82 94.78 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.64 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -151.97 159.05 43.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 47.7 mt -148.62 169.38 20.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -163.58 150.33 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -163.11 115.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -112.18 157.56 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -119.21 131.71 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 16.0 mm -135.01 129.83 51.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 30.3 m-70 -92.9 92.99 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -72.97 128.5 35.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 48.6 t -55.84 128.79 36.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.99 39.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.529 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.2 t80 -118.68 139.65 27.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 0.0 110.898 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.77 126.2 13.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 94.45 -49.57 2.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.0 t -52.09 134.64 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 58.1 p -123.38 37.94 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -103.62 149.6 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 384' ' ' TYR . 10.5 m -146.56 146.99 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 383' ' ' VAL . 18.7 m-85 -141.7 142.12 33.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 24.8 p -84.69 37.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 389' ' ' HIS . 16.1 mttt -140.97 151.14 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 28.1 p -88.73 -50.54 6.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 m -62.89 -47.56 82.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 386' ' ' LYS . 10.7 m170 -52.42 -55.95 18.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 47.6 tp -40.93 -63.32 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 394' ' ' LEU . 41.1 tttt -42.99 -47.69 5.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.1 79.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.9 -44.48 92.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 391' ' ' LYS . 98.4 mt -41.3 -34.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 396' ' ' THR . 33.5 mtp180 -48.45 -49.84 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 395' ' ' ARG . 68.8 p -35.13 -54.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 377' ' ' TYR . 14.6 m-70 -68.7 -43.21 76.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.541 HG23 ' HE3' ' A' ' 401' ' ' LYS . 54.9 m -37.57 120.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 401' ' ' LYS . . . -163.86 -87.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.61 95.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.541 ' HE3' HG23 ' A' ' 398' ' ' THR . 12.1 mmtp -127.98 77.0 77.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.53 32.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -83.35 125.81 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -129.97 131.7 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.0 t -65.41 114.08 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 406' ' ' THR . 16.7 m -83.2 46.08 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -107.38 123.66 48.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -44.85 115.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 101.51 -46.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.6 134.33 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.39 23.54 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -82.3 159.2 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -139.31 158.02 44.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.28 174.35 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.9 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -96.85 132.18 42.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.9 p -54.07 -52.17 61.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -45.07 -47.89 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -54.28 -48.95 70.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 405' ' ' CYS . 56.9 tp -62.46 -35.79 80.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 92.0 m -61.07 -55.1 36.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -56.85 -47.38 80.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -59.64 -53.25 60.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -48.57 -36.83 16.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -62.85 -49.78 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -40.69 -44.84 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -45.74 -61.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.8 t -99.42 30.96 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.79 -117.95 4.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -124.68 125.25 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -105.39 110.29 64.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HG2' ' CE2' ' A' ' 433' ' ' PHE . 53.8 Cg_endo -69.73 -0.12 6.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 37.2 m-85 -127.39 112.09 14.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -137.07 139.84 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.1 t -77.7 175.69 9.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.01 -43.94 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.74 -68.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.0 p -73.34 -20.82 60.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.0 m120 58.85 52.55 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -109.47 156.7 19.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 73.4 p -108.3 156.63 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -144.98 144.94 31.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 89.4 p -73.3 -44.26 59.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -95.27 150.88 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 30.2 t -78.06 -58.27 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -39.23 -41.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -57.66 -44.86 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 445' ' ' SER . 18.8 tp -61.22 -57.47 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -44.86 -54.93 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.34 -41.75 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -51.48 -43.21 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 2.2 mmt -46.16 -46.32 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -46.25 -40.45 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -49.66 -35.63 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -81.68 -34.87 30.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -85.86 55.85 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.2 t -166.42 153.08 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -168.36 137.32 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -161.22 148.98 17.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.9 m -169.28 177.58 4.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.7 t -173.66 174.76 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -178.63 87.55 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 174.79 8.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -161.63 143.25 11.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 90.0 mt -155.22 170.09 22.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.52 170.38 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -146.02 125.23 12.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -170.82 144.13 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -131.72 87.03 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 374' ' ' TYR . 35.9 mm -132.56 151.26 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -140.2 120.21 13.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 372' ' ' ILE . 89.5 m-85 -109.24 110.2 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 374' ' ' TYR . 14.5 t -36.52 133.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -101.36 39.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 378' ' ' PRO . 3.7 t80 -116.12 138.11 23.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.671 0.748 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 377' ' ' TYR . 53.8 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 90.07 -43.22 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 30.4 t -73.85 134.54 43.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 72.5 p -121.94 39.55 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 393' ' ' HIS . 16.3 mmtm -93.36 139.78 30.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 384' ' ' TYR . 33.9 m -136.37 156.92 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 383' ' ' VAL . 59.9 m-85 -148.48 126.54 12.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.3 m -55.19 -44.07 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -92.76 150.99 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -81.33 -47.8 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.2 t -40.33 -45.94 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -68.35 -48.54 64.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 33.4 tp -44.28 -48.91 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.91 -49.04 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.39 70.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 382' ' ' LYS . 11.0 t60 -50.72 -40.96 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.633 HD23 ' HD2' ' A' ' 397' ' ' HIS . 17.6 mt -61.17 -23.46 65.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -55.1 -37.25 66.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -30.16 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.633 ' HD2' HD23 ' A' ' 394' ' ' LEU . 29.1 m-70 -84.7 9.34 14.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 92.4 m -111.6 88.13 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 58.46 -110.72 2.69 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.46 171.51 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 415' ' ' ALA . 32.7 mttt -126.75 72.66 74.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.15 32.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.64 93.62 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -102.49 125.27 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.97 120.39 5.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 23.6 p -82.81 43.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 427' ' ' HIS . 29.9 t-105 -107.64 161.17 15.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 407' ' ' TRP . 24.6 tt0 -89.18 107.53 19.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 112.26 -43.71 1.66 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.12 133.86 56.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -124.26 40.16 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -103.49 168.7 8.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.544 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 69.7 mtt180 -147.22 176.17 10.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 45.8 m-85 -160.27 179.7 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.498 ' HB2' ' HG2' ' A' ' 401' ' ' LYS . . . -122.67 -22.72 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -112.6 169.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 418' ' ' ASP . 14.6 m -78.75 -67.53 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 417' ' ' SER . 4.3 t70 -37.31 -46.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.69 -56.69 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.17 -51.38 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 -60.78 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -49.71 -39.96 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -69.55 -40.19 76.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -60.7 -43.03 98.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 429' ' ' GLY . 72.6 mtt180 -50.99 -44.32 60.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -47.56 -49.85 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.465 ' HB3' ' CH2' ' A' ' 407' ' ' TRP . 60.9 m-70 -46.06 -58.01 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 8.9 t -106.08 31.54 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -117.19 -100.03 2.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 429' ' ' GLY . . . -37.07 -45.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.95 126.74 15.71 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.15 33.76 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 448' ' ' LEU . 5.5 m-85 -108.17 119.62 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . 0.438 ' CD ' ' O ' ' A' ' 435' ' ' CYS . 0.9 OUTLIER -136.56 138.48 41.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 434' ' ' GLN . 3.4 t -91.41 174.42 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -62.49 0.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.4 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 94.7 t -50.68 -59.85 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 13.8 p -84.87 -20.69 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 53.86 52.29 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -109.34 175.75 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 6.1 m -118.85 146.6 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.53 144.84 51.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 76.2 p -80.05 -42.72 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -104.78 168.96 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.0 m -84.79 -56.32 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -38.47 -46.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -55.05 -48.5 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 433' ' ' PHE . 27.4 tp -57.8 -56.92 15.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -50.72 -58.92 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -60.48 -42.72 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 453' ' ' LYS . 87.7 mmm -54.02 -45.23 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 452' ' ' MET . 28.3 mmtt -36.86 -41.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -65.4 -50.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.8 m-70 -56.45 -45.98 80.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -74.19 108.27 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 34.3 t -173.17 142.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 19.4 m -144.79 172.24 13.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 161.57 131.13 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 23.1 t -147.29 122.39 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 29.9 m -89.88 -59.61 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 72.42 83.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.59 16.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.396 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.48 108.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 367' ' ' LEU . 4.7 mp -102.92 139.41 38.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -127.41 131.63 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -137.68 162.85 32.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 170.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -134.06 91.25 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 74.3 mt -134.48 151.39 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.483 ' O ' HG23 ' A' ' 383' ' ' VAL . 42.8 m-70 -147.05 118.72 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -97.98 133.94 41.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 23.7 t -50.9 126.83 17.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -84.27 37.7 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.528 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.4 t80 -117.29 140.03 26.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.692 0.758 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.83 106.74 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 116.22 -42.37 1.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.1 t -66.12 128.65 36.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 71.5 p -114.44 32.38 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -85.33 167.07 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.7 p -159.97 138.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -134.86 115.21 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 25.7 p -47.59 -41.73 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.2 140.53 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 33.2 t -73.52 -44.64 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 3.6 m -54.2 -47.6 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -55.46 -48.07 75.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 373' ' ' HIS . 56.9 tp -52.49 -52.17 55.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -43.39 -47.51 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -57.05 -48.51 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.3 mt -40.6 -44.54 2.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -39.64 -43.3 1.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 60.1 p -46.6 -43.09 17.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -81.89 -41.28 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 398' ' ' THR . 6.9 t -101.16 114.42 28.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 84.17 112.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.77 -177.14 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -117.48 99.09 52.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.22 37.25 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -97.8 122.74 41.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 153.87 50.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.3 117.32 18.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 406' ' ' THR . 10.1 m -79.72 43.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -107.67 137.29 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.89 124.05 17.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.58 -44.93 2.91 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 13.9 t -58.45 133.53 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -129.09 31.92 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -91.2 139.98 30.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -123.0 174.09 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -153.12 164.35 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -93.96 -47.23 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -93.09 152.82 19.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 15.3 m -64.58 -58.88 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -46.05 -54.0 9.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -42.2 -43.56 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.4 tp -67.52 -52.95 32.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 67.8 m -46.45 -48.78 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -57.39 -46.04 83.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -59.35 -48.43 81.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -56.35 -47.65 78.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -43.54 -37.63 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 430' ' ' ALA . 16.0 mmmt -59.27 -46.07 89.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -55.34 -51.99 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.0 p -74.49 -23.27 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -138.82 84.91 0.23 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 426' ' ' LYS . . . -135.0 100.42 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -131.79 120.79 17.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 29.4 m-85 -121.63 123.76 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -139.31 134.44 32.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.79 172.09 12.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.91 -54.49 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.08 -60.53 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.4 p -83.47 -14.86 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 12.0 m120 48.3 46.35 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -101.04 -178.78 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 97.1 p -124.06 151.1 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -140.49 138.77 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 1.2 t -79.57 -43.02 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -98.66 128.29 44.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 10.4 t -53.82 -56.04 21.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.78 -49.4 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -49.27 -43.52 43.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 433' ' ' PHE . 17.2 tp -63.3 -44.11 95.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -59.6 -52.34 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.2 mp -65.46 -39.66 92.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.55 -47.65 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 79.4 mmm -46.81 -46.27 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -40.11 -46.73 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -52.92 -44.29 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.82 -66.86 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -57.44 115.73 2.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.4 t30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.1 t -167.94 173.34 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -172.86 152.04 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -129.28 -163.61 11.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.0 m -171.23 176.84 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 97.8 p -160.07 172.42 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -162.3 93.85 0.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -142.12 172.04 13.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.0 163.07 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -129.48 142.38 50.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -132.94 134.76 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.38 173.27 7.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . 0.416 ' C ' HG12 ' A' ' 372' ' ' ILE . 0.0 OUTLIER -108.46 148.6 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.722 HG23 HG11 ' A' ' 383' ' ' VAL . 23.5 mm -150.6 129.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.63 ' HB3' HD22 ' A' ' 390' ' ' LEU . 50.7 m-70 -114.96 92.08 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.73 124.9 25.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 33.8 t -51.82 140.01 20.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -84.57 32.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.497 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.7 t80 -119.24 139.55 27.72 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.666 0.746 . . . . 0.0 110.953 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.71 131.55 21.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 84.95 -46.55 3.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 23.8 t -37.79 139.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 36.2 p -124.8 40.13 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -115.86 146.37 42.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.722 HG11 HG23 ' A' ' 372' ' ' ILE . 73.7 t -147.66 144.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -128.28 113.54 15.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.2 p -49.66 -19.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -115.56 138.13 51.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 61.2 p -68.89 -51.75 36.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 t -43.55 -34.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -78.92 -37.58 39.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 373' ' ' HIS . 14.2 tp -55.62 -54.03 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.1 -54.88 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.35 -54.11 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -50.78 -45.42 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 397' ' ' HIS . 20.3 mt -56.53 -40.92 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 394' ' ' LEU . 15.8 mmm180 -34.5 -37.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 394' ' ' LEU . 48.4 p -75.34 -47.19 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 394' ' ' LEU . 18.9 m-70 -57.2 -48.07 79.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 394' ' ' LEU . 2.7 t -75.05 147.09 40.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 116.05 -168.46 12.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -153.72 139.49 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -111.49 70.47 0.82 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.75 29.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.93 86.86 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -93.79 129.38 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.85 123.36 15.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 406' ' ' THR . 31.4 m -82.3 42.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -108.21 157.95 17.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -79.26 112.19 16.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 104.03 -44.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.56 125.14 21.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.94 163.73 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -141.7 164.37 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -141.86 177.29 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -109.05 -36.72 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 416' ' ' ARG . 1.9 mpt_? -109.17 166.71 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 59.8 p -77.25 -43.01 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.02 -45.22 79.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -55.06 -43.61 74.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 421' ' ' THR . 37.8 tp -74.68 -60.95 2.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 420' ' ' LEU . 96.6 m -35.68 -49.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -62.9 -47.2 84.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -61.38 -58.6 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -45.16 -44.47 10.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -50.02 -39.77 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -54.31 -41.85 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -55.88 -36.62 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.7 p -99.43 29.93 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -134.45 168.02 23.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -134.88 89.02 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.866 0.365 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -88.43 125.6 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.91 27.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -139.22 135.32 33.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -139.58 135.72 33.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . 0.452 ' SG ' ' CE ' ' A' ' 452' ' ' MET . 3.1 t -84.74 174.79 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.7 -50.2 0.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.426 ' HB ' ' NE2' ' A' ' 455' ' ' HIS . 59.6 t -64.13 -62.91 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 111.142 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 23.4 p -82.59 -19.7 37.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 56.23 41.67 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -100.19 173.81 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 11.1 t -116.89 156.29 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -138.84 126.92 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.0 t -61.35 -41.14 96.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 447' ' ' HIS . 7.1 mmm180 -100.27 166.54 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 7.9 t -85.51 -51.93 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -48.43 -44.21 35.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 444' ' ' ARG . 52.2 m170 -48.36 -47.24 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 46.4 tp -58.19 -41.92 85.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -64.29 -59.34 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.13 -26.95 52.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 18.9 t60 -79.52 -46.72 16.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.452 ' CE ' ' SG ' ' A' ' 435' ' ' CYS . 6.2 mmt -40.13 -61.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -51.14 -32.94 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 9.4 ttt180 -53.14 -45.7 68.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.426 ' NE2' ' HB ' ' A' ' 437' ' ' VAL . 6.3 m-70 -52.36 -55.09 23.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -47.63 143.53 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 8.1 t -174.58 177.03 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 21.0 m -157.12 176.23 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -155.28 -168.38 18.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.0 p -163.93 170.1 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.383 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 31.6 p -155.82 176.79 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -154.77 115.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -176.22 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -134.94 175.07 9.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 367' ' ' LEU . 0.6 OUTLIER -149.57 177.11 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -160.02 169.95 22.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -144.78 126.44 15.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -170.82 161.52 7.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 371' ' ' ARG . 0.0 OUTLIER -169.47 141.35 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 96.2 mt -148.91 145.44 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 387' ' ' SER . 47.9 m-70 -115.96 130.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 374' ' ' TYR . 1.6 m-85 -111.79 132.59 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.24 118.58 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.8 41.47 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.419 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.8 t80 -119.21 136.81 24.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.637 0.732 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.4 Cg_endo -69.75 138.73 38.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 87.46 -41.2 3.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 6.4 t -80.71 123.34 28.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 47.4 p -111.73 35.63 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -97.37 138.56 34.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.27 171.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -152.63 146.13 24.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 47.8 m -68.24 -44.93 74.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.179 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -88.59 151.34 22.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . 0.546 ' HB3' ' CE1' ' A' ' 373' ' ' HIS . 2.3 p -85.78 -14.79 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 9.2 t -77.14 -46.84 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -60.95 -45.05 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.28 -53.68 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -41.92 -46.6 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.01 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -70.58 -58.26 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 395' ' ' ARG . 17.7 mt -38.3 -46.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 394' ' ' LEU . 53.6 mtt180 -34.74 -57.6 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 74.1 p -41.97 -48.91 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 62.2 m-70 -56.5 -49.02 75.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 61.2 m -83.73 125.33 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 141.92 166.36 10.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 402' ' ' PRO . 19.5 tt0 -126.07 82.55 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.414 ' HG3' ' C ' ' A' ' 414' ' ' PHE . 0.1 OUTLIER -107.31 76.18 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.913 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 400' ' ' GLU . 53.8 Cg_endo -69.72 -26.62 27.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -86.86 125.75 34.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -126.57 144.01 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 420' ' ' LEU . 42.5 t -71.32 114.71 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 406' ' ' THR . 7.1 t -79.56 42.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -107.81 116.18 31.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -46.14 129.69 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 92.76 -50.33 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.5 141.68 54.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.61 37.39 3.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -94.34 165.29 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -155.75 162.33 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 401' ' ' LYS . 37.8 m-85 -146.7 166.01 27.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -95.79 -47.97 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -88.86 124.77 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 45.8 t -40.41 -48.81 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -48.36 -54.25 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -38.89 -48.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 405' ' ' CYS . 23.6 tp -64.56 -55.02 23.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 82.4 m -42.66 -41.22 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -74.61 -41.6 60.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -60.72 -38.0 83.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -41.83 89.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -49.17 -43.6 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -59.89 -47.58 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -50.44 -51.1 49.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 70.6 p -87.84 31.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -117.8 -90.38 1.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -56.76 -61.01 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.443 ' HD3' ' CB ' ' A' ' 441' ' ' SER . 32.6 mttt -124.15 98.39 38.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.527 0.68 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 431' ' ' LYS . 53.6 Cg_endo -69.73 -30.78 21.87 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -99.5 119.36 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -136.79 119.7 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.0 t -68.94 178.69 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -54.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.72 -70.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 19.5 p -71.76 -10.9 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 4.7 p-10 47.09 49.13 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -105.52 -180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . 0.443 ' CB ' ' HD3' ' A' ' 431' ' ' LYS . 26.7 m -131.6 149.86 52.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -132.85 150.5 52.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.3 m -76.09 -52.36 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.529 ' HB2' ' CE1' ' A' ' 447' ' ' HIS . 58.0 mtt180 -98.03 171.59 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 57.4 p -82.47 -50.72 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.44 -43.92 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 444' ' ' ARG . 24.4 m170 -56.67 -46.76 80.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.67 -54.11 49.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.0 -61.55 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.8 mp -53.69 -16.56 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -89.66 -39.88 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 1.6 mmt -48.19 -57.16 6.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -50.87 -25.15 4.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -64.21 -44.77 90.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -55.63 -49.09 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.82 177.11 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 68.9 p -172.76 175.1 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 4.1 m -168.93 173.11 7.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -133.03 -74.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 6.7 t 64.26 42.62 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 57.7 m -73.72 168.57 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -160.93 105.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.439 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -177.22 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.94 150.05 28.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 3.7 pp -138.42 161.88 35.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -148.69 148.61 30.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -127.52 125.5 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -139.32 117.99 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -170.01 160.67 8.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.58 HD13 HG22 ' A' ' 385' ' ' THR . 27.1 mm -122.4 144.51 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.788 ' HB3' HD22 ' A' ' 390' ' ' LEU . 13.4 m-70 -111.0 97.46 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 375' ' ' CYS . 36.2 m-85 -84.02 108.29 16.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 374' ' ' TYR . 41.0 t -37.62 136.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.29 36.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.526 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 24.3 t80 -113.56 139.29 23.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.691 0.758 . . . . 0.0 110.899 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 54.1 Cg_endo -69.73 117.18 4.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.16 -41.79 2.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 17.9 t -47.9 138.34 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 33.8 p -125.57 29.89 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -106.15 142.5 35.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 21.3 m -139.33 165.07 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -156.47 143.71 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . 0.58 HG22 HD13 ' A' ' 372' ' ' ILE . 14.6 p -91.2 34.56 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -136.73 155.39 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 38.3 t -87.24 -56.86 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 38.6 t -57.71 -48.03 80.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.49 -57.2 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 373' ' ' HIS . 62.3 tp -43.44 -58.51 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -49.09 -42.56 39.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -56.68 -41.77 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 395' ' ' ARG . 12.5 mt -48.87 -43.71 39.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 394' ' ' LEU . 37.3 mtp85 -36.0 -50.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.6 p -42.45 -50.8 5.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -64.72 -48.8 73.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 88.3 m -41.85 108.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 105.64 -150.27 16.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -145.23 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 82.2 mttt -121.07 101.55 44.66 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.9 Cg_endo -69.78 -36.16 11.24 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.492 ' HB3' HD22 ' A' ' 420' ' ' LEU . 90.9 m-85 -71.63 118.57 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -126.92 116.98 21.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 420' ' ' LEU . 44.2 t -39.74 123.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m -86.57 45.54 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -107.85 159.75 16.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -82.97 104.25 13.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 113.38 -42.63 1.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 47.0 t -71.05 110.09 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -105.29 31.06 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -86.32 164.83 16.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 414' ' ' PHE . 56.6 mtm-85 -137.54 178.21 7.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 413' ' ' ARG . 79.7 m-85 -153.37 163.1 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -90.15 -42.51 11.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -106.41 151.7 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 80.1 p -67.53 -50.62 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -48.25 -50.96 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.02 -55.06 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 403' ' ' TYR . 31.3 tp -58.73 -55.55 33.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.7 m -37.57 -54.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . 0.432 ' HG2' ' NH2' ' A' ' 425' ' ' ARG . 1.4 tmt_? -57.15 -42.58 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.29 -43.89 96.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.41 -32.8 70.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 429' ' ' GLY . 21.2 mtm105 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 427' ' ' HIS . 7.5 mtpm? -51.23 -55.49 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 426' ' ' LYS . 36.1 m-70 -37.71 -65.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 6.3 t -101.96 29.64 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 425' ' ' ARG . . . -93.04 -62.89 1.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -39.62 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -144.57 151.83 51.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.6 31.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.74 111.81 21.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -117.63 122.59 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.5 179.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.3 -57.16 0.51 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.65 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.62 -18.36 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 20.8 m120 53.99 47.63 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -90.62 -177.61 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 89.5 p -121.81 150.13 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -156.23 139.47 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 1.4 p -99.33 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 443' ' ' SER . 17.6 mtp180 -166.73 128.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 55.9 p -65.31 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.5 -32.04 69.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -68.56 -40.23 80.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.99 -57.62 10.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.86 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 450' ' ' LEU . 8.9 tt -57.24 -45.41 83.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -46.37 -53.27 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 455' ' ' HIS . 23.5 mmm -39.37 -46.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.3 mmtp -34.38 -42.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -49.16 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 452' ' ' MET . 10.2 m-70 -50.18 -48.4 54.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -70.23 136.27 49.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -155.54 172.9 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 7.7 t -168.42 174.15 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 160.12 153.61 6.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 3.5 m -168.98 154.76 6.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.3 m -154.52 178.62 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 169.32 84.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.42 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.374 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -167.32 159.25 12.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 367' ' ' LEU . 3.2 pp -168.35 164.05 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -159.41 146.56 16.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -133.63 143.86 48.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . 0.479 ' HG3' ' CG2' ' A' ' 385' ' ' THR . 2.2 tpp85 -148.43 133.89 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 372' ' ' ILE . 11.4 mmm180 -105.34 168.07 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 373' ' ' HIS . 13.5 mt -147.97 162.86 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.594 ' O ' HG13 ' A' ' 383' ' ' VAL . 11.5 m-70 -154.14 107.29 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.482 ' HA ' HG22 ' A' ' 383' ' ' VAL . 6.7 m-85 -84.03 116.38 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 374' ' ' TYR . 45.2 t -34.44 126.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -88.32 37.77 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.443 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 5.8 t80 -114.39 137.93 22.83 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 115.49 4.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 107.5 -38.32 3.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.15 136.14 37.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 69.9 p -124.15 35.37 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -92.17 133.39 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.594 HG13 ' O ' ' A' ' 373' ' ' HIS . 10.1 t -132.21 150.17 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.424 ' CD2' ' HA ' ' A' ' 390' ' ' LEU . 29.9 m-85 -135.27 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 370' ' ' ARG . 4.0 m -52.51 -40.65 62.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -88.41 152.66 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 8.9 m -79.73 -66.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 80.7 p -42.98 -34.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -61.8 -42.4 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.424 ' HA ' ' CD2' ' A' ' 384' ' ' TYR . 16.7 tp -61.71 -50.04 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.74 -41.8 5.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.0 83.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -71.27 -52.11 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 15.5 mt -41.35 -35.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -56.53 -44.76 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.3 p -48.62 -39.87 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 398' ' ' THR . 72.0 m-70 -63.27 -35.84 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 397' ' ' HIS . 1.2 t -34.0 144.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -145.74 60.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -93.34 -17.52 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 0.0 OUTLIER -129.62 98.85 21.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.8 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -53.21 110.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -116.82 135.8 53.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.07 113.24 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 77.5 p -78.79 42.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 427' ' ' HIS . 33.2 t-105 -107.84 141.26 39.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.13 119.73 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 95.48 -40.95 2.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 10.3 t -68.83 132.79 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -130.71 24.69 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -81.26 168.03 18.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 414' ' ' PHE . 66.3 mtt180 -141.39 -179.42 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 413' ' ' ARG . 95.4 m-85 -159.29 149.78 19.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -78.51 -32.55 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -109.62 153.03 24.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -73.41 -50.89 19.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -50.79 -43.63 58.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -56.17 -43.18 78.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.08 -54.44 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 54.6 m -49.33 -37.16 23.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -64.49 -45.07 88.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.68 -34.7 77.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.792 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -62.9 -46.5 87.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -41.9 -37.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.42 -44.47 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 407' ' ' TRP . 26.7 m-70 -53.75 -31.4 48.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 61.5 p -94.09 -20.09 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -60.55 131.62 49.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -86.88 137.25 32.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -139.05 114.42 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 433' ' ' PHE . 53.5 Cg_endo -69.8 -26.93 26.87 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 432' ' ' PRO . 56.4 m-85 -108.78 104.76 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -131.23 113.94 14.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.21 173.7 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -116.15 -48.05 0.49 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 56.3 t -59.28 -68.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 32.1 p -76.83 -23.9 52.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 67.83 53.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -115.31 -176.94 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . 0.496 ' C ' ' CD1' ' A' ' 442' ' ' PHE . 66.5 m -144.32 156.29 44.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 441' ' ' SER . 27.2 m-85 -152.77 145.91 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 444' ' ' ARG . 7.5 p -92.57 37.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 443' ' ' SER . 19.2 mtp180 -163.08 129.09 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 12.5 t -61.09 -66.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -39.12 -38.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.93 -50.37 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 22.8 tp -64.84 -56.16 15.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -48.09 -52.76 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.0 -40.34 95.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.41 -47.76 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 7.3 mtp -43.35 -46.79 6.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -40.07 -45.08 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -51.43 -42.66 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.554 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 45.6 m-70 -61.85 -58.64 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 455' ' ' HIS . 81.5 mm-40 -34.86 114.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 m -173.17 164.59 4.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 58.8 m -156.91 176.51 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -157.68 171.05 34.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 69.5 m -158.28 172.7 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 3.0 t -174.98 178.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 172.6 145.51 5.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.81 11.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -146.85 135.15 21.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 367' ' ' LEU . 1.4 pt? -147.23 160.78 42.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.24 43.58 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -113.71 143.65 44.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -127.81 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -170.12 165.73 9.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 6.6 mm -107.36 145.39 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.729 ' O ' HG13 ' A' ' 383' ' ' VAL . 86.0 m-70 -138.39 107.3 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -88.98 126.81 35.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.55 128.02 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.68 41.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.6 t80 -118.37 140.41 28.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.951 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.75 125.19 11.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 91.07 -41.27 2.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.09 134.24 43.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.819 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 82.1 p -122.81 42.77 3.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -113.05 144.81 41.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 373' ' ' HIS . 12.1 t -139.61 146.81 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -130.51 113.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 10.7 m -44.46 -36.19 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.61 135.71 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 57.1 p -66.21 -50.34 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 29.3 t -44.06 -55.42 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -53.02 -50.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 393' ' ' HIS . 59.1 tp -46.91 -55.72 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 390' ' ' LEU . 89.4 mttt -35.97 -48.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.84 84.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 390' ' ' LEU . 56.3 t60 -59.68 -55.1 38.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 393' ' ' HIS . 14.2 mt -37.53 -40.74 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -39.36 -55.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 71.4 p -43.25 -46.1 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 377' ' ' TYR . 35.3 m-70 -66.28 -48.07 71.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 65.5 p -99.63 95.54 7.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -156.59 -172.96 24.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 401' ' ' LYS . 1.4 mp0 -109.32 -58.26 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.438 ' N ' ' CD ' ' A' ' 402' ' ' PRO . 0.1 OUTLIER 36.67 54.54 2.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 401' ' ' LYS . 53.5 Cg_endo -69.75 -21.95 32.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -77.01 115.33 16.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -116.85 144.06 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 35.4 t -72.03 120.53 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 41.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -108.2 143.85 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.55 118.4 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.49 -48.98 1.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 48.0 t -60.11 113.85 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.33 34.21 4.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . 0.452 ' O ' ' CG ' ' A' ' 413' ' ' ARG . 67.1 m95 -88.69 177.33 6.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 412' ' ' TRP . 87.2 mtm-85 -160.96 150.46 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -129.4 165.7 21.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -88.59 -44.5 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.58 139.3 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 76.9 p -52.75 -47.62 67.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -46.99 -57.15 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -43.9 -46.62 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.42 -52.42 64.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.6 m -47.09 -56.55 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 27.8 ttm-85 -53.41 -52.45 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -52.44 -45.62 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -54.58 -43.9 72.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -39.66 -42.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.14 -47.95 83.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -51.11 -50.89 57.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.3 p -73.73 -24.38 59.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -95.33 -167.48 35.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.7 157.02 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 442' ' ' PHE . 30.1 mttp -119.23 159.38 45.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -27.69 26.15 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 54.1 m-85 -99.22 109.77 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -127.49 136.57 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 448' ' ' LEU . 1.8 t -59.92 -179.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -101.15 -46.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 90.9 t -85.81 -75.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 439' ' ' ASN . 15.4 p -66.44 -10.64 46.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.462 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 1.0 OUTLIER 48.89 52.26 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 442' ' ' PHE . 3.2 ttt85 -71.55 -172.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.17 120.15 16.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 440' ' ' ARG . 74.5 m-85 -122.87 155.22 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 85.0 p -84.66 -28.22 26.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -120.09 170.1 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 446' ' ' ASP . 35.2 t -80.89 -67.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 445' ' ' SER . 41.2 m-20 -35.92 -44.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -49.92 -55.2 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 435' ' ' CYS . 14.2 tp -59.54 -62.67 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 448' ' ' LEU . . . -34.1 -52.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 10.6 tp -57.91 -59.37 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 452' ' ' MET . 20.8 t60 -38.18 -41.07 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 453' ' ' LYS . 88.7 mmm -36.43 -45.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 452' ' ' MET . 10.2 pttp -35.9 -45.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -43.04 -54.34 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -76.68 -45.8 28.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -54.73 105.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 5.9 m -155.77 177.35 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 6.2 t -150.66 177.08 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -131.0 -158.05 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 60.1 p -157.93 173.0 17.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.8 m -129.18 171.11 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -124.17 122.03 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 157.23 61.0 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.34 168.76 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 7.1 mt -146.47 105.16 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -97.43 147.8 23.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -119.39 139.77 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.63 126.21 50.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -72.13 85.2 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 55.2 mt -142.8 149.82 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.893 ' O ' HG23 ' A' ' 383' ' ' VAL . 10.3 m-70 -148.19 130.29 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -95.77 145.52 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 14.0 t -70.11 122.77 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.92 39.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.697 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 13.4 t80 -120.02 140.03 29.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.908 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.4 Cg_endo -69.8 155.29 66.19 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.74 16.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 40.9 t -140.38 115.43 9.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.6 t -111.52 52.42 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -96.19 144.23 26.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 373' ' ' HIS . 6.9 p -142.67 132.73 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 385' ' ' THR . 75.3 m-85 -117.01 115.32 25.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 384' ' ' TYR . 13.3 m -34.93 -50.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -84.69 154.19 22.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 25.6 t -84.23 -58.87 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 16.9 t -40.57 -40.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -63.43 -50.65 68.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 14.5 tp -47.56 -44.58 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -44.98 -49.6 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.28 68.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -67.26 -36.66 82.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 23.8 mt -63.52 -38.42 91.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -43.57 -42.33 5.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 65.1 p -69.23 -33.66 73.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.697 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 24.5 m-70 -79.13 -0.28 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 399' ' ' GLY . 30.1 p -126.98 163.39 23.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 398' ' ' THR . . . -35.61 134.76 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -133.19 171.81 13.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.2 mppt? -116.67 99.59 52.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 401' ' ' LYS . 53.7 Cg_endo -69.77 -21.88 32.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -89.73 125.39 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -130.44 144.01 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.18 117.44 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 81.0 p -86.14 45.72 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -107.99 157.94 17.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.01 112.86 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.36 -40.71 2.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.81 118.48 14.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -118.98 31.59 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -84.03 170.58 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.1 mtm-85 -151.81 155.79 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.33 160.88 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -81.43 -50.25 9.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -94.93 137.23 34.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -53.84 -55.15 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -41.23 -48.1 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.31 -48.98 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.62 -43.03 93.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 91.6 m -55.89 -49.93 72.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -59.41 -46.51 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -61.68 -60.7 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -38.58 -43.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -52.56 -45.43 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -44.98 -47.1 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -50.15 -47.38 54.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 60.0 p -78.65 -25.05 44.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -63.8 -76.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -91.11 162.57 14.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 432' ' ' PRO . 26.4 mtpt 62.98 53.99 1.87 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 431' ' ' LYS . 53.7 Cg_endo -69.78 2.03 3.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.724 2.282 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 448' ' ' LEU . 18.2 m-85 -101.88 129.48 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -139.13 114.2 9.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 3.4 t -67.51 174.96 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -109.84 -59.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 63.6 t -52.43 -58.72 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 26.8 p -86.32 -29.42 23.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 63.59 46.74 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -101.6 -177.98 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 37.2 p -123.63 149.8 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.59 171.27 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 6.0 t -104.94 -47.28 4.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -90.31 164.48 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 3.4 p -87.25 -19.59 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -82.85 -38.66 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -55.57 -37.1 67.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 433' ' ' PHE . 15.4 tp -64.29 -52.09 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.3 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 450' ' ' LEU . 5.9 tt -50.88 -31.39 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -82.77 -39.62 21.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 62.3 mmm -47.41 -58.66 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 454' ' ' ARG . 16.5 ptpt -56.42 -36.97 69.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' A' ' 453' ' ' LYS . 14.4 ttt85 -47.91 -46.76 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -44.38 -45.81 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.87 139.51 43.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.9 m -173.68 166.35 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.9 m -174.45 176.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 166.93 142.77 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 7.1 m -166.64 151.47 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 110.803 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 37.4 m -122.82 -63.34 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 78.75 135.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -169.39 130.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 41.4 mt -141.49 157.34 45.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -163.74 131.75 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -135.77 178.24 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -171.54 149.2 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -160.1 134.69 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 84.3 mt -146.68 144.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -108.36 130.28 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -103.0 111.9 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 8.4 t -38.94 124.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -81.68 40.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.463 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 13.1 t80 -112.52 137.67 21.73 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.76 115.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 100.02 -35.6 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 53.4 t -49.73 140.66 11.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 75.4 p -126.79 30.79 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -113.09 143.1 44.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.18 147.74 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -125.27 159.46 31.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.0 m -85.43 -44.2 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -89.22 170.69 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 30.8 m -89.29 -60.7 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 48.2 t -46.54 -50.45 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -50.68 -52.2 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 22.7 tp -48.58 -56.8 7.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -40.98 -51.2 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.09 25.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 394' ' ' LEU . 8.9 t60 -64.94 -51.46 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 393' ' ' HIS . 64.0 mt -37.5 -44.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 398' ' ' THR . 75.8 mtm180 -44.17 -46.02 8.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.1 p -49.05 -46.53 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -53.72 -31.43 48.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 395' ' ' ARG . 5.0 t -39.67 138.49 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -119.93 155.93 16.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 400' ' ' GLU . 0.8 OUTLIER -87.78 42.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.89 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.25 111.59 3.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.8 Cg_endo -69.76 -31.09 21.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 70.8 m-85 -92.06 134.99 34.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.02 159.57 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 47.8 t -90.06 116.62 28.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 406' ' ' THR . 25.9 m -82.55 43.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -107.53 140.03 41.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.76 118.05 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 99.08 -51.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.2 t -63.6 115.12 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -114.08 32.32 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -89.11 161.29 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -142.85 151.81 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.51 171.3 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . 0.445 ' O ' ' CE1' ' A' ' 403' ' ' TYR . . . -101.79 -46.26 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -82.35 123.34 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 90.2 p -47.25 -41.09 17.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -64.1 -52.62 58.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -39.55 -54.12 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.9 -52.23 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 18.0 m -47.28 -58.14 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -52.97 -47.97 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -55.91 -43.88 77.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.25 -42.55 95.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -41.65 -48.46 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -52.29 -50.66 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -48.38 -40.22 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 64.1 p -87.65 30.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.42 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.31 146.3 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 106.64 14.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.05 36.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.64 ' HB3' HD22 ' A' ' 448' ' ' LEU . 32.8 m-85 -130.28 91.69 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -103.42 140.69 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 2.7 t -85.99 176.3 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 439' ' ' ASN . . . -110.47 -63.96 0.52 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.515 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.3 t -51.15 -63.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.2 p -79.67 -28.41 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 436' ' ' GLY . 30.4 m120 62.45 51.3 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -106.3 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 19.8 m -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -147.25 123.63 10.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.4 p -81.8 15.88 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.502 ' HB2' ' CG ' ' A' ' 447' ' ' HIS . 16.2 mmt180 -131.65 126.46 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 15.6 t -60.23 -53.53 56.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.16 -42.83 66.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 444' ' ' ARG . 16.2 m170 -51.07 -46.33 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 433' ' ' PHE . 67.4 tp -60.97 -60.71 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.82 -60.19 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.93 -51.78 66.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -45.06 -50.52 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 453' ' ' LYS . 89.7 mmm -46.73 -49.51 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.4 mtpm? -35.67 -41.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -50.25 61.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.515 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 3.4 m-70 -52.97 -46.26 68.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -51.54 147.01 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 28.1 t -168.45 137.27 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.806 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 24.4 p -174.7 175.61 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 90.31 -139.29 14.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 16.0 m -139.36 138.91 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 49.7 p -39.85 104.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -140.24 115.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -4.66 14.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.5 106.04 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 368' ' ' GLU . 14.6 mt -149.59 110.4 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 367' ' ' LEU . 7.2 pt-20 -34.24 148.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -75.93 -59.64 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -171.82 173.13 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 371' ' ' ARG . 1.7 ptp180 -128.25 146.69 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.93 150.97 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.467 ' HB3' HD22 ' A' ' 390' ' ' LEU . 18.2 m-70 -137.05 114.64 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 375' ' ' CYS . 11.1 m-85 -106.74 106.54 17.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 374' ' ' TYR . 49.0 t -35.56 128.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.41 33.35 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.492 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 4.5 t80 -110.01 139.36 21.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.684 0.754 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.5 Cg_endo -69.8 131.33 20.96 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 95.93 -37.35 3.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.9 119.9 32.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 45.2 p -113.53 44.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -85.66 155.37 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.32 139.56 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -137.99 140.11 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 1.6 m -83.98 36.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 389' ' ' HIS . 45.9 mttt -142.49 152.46 42.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 3.6 m -87.73 -46.06 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 36.0 t -66.7 -44.59 81.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 386' ' ' LYS . 9.4 m170 -50.46 -54.68 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 373' ' ' HIS . 48.8 tp -45.91 -63.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 390' ' ' LEU . 18.5 tttt -38.27 -52.05 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 395' ' ' ARG . . . -55.93 -46.82 78.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.5 -51.42 69.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 13.0 mt -43.82 -32.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.48 ' CG ' ' O ' ' A' ' 392' ' ' ALA . 7.1 mmm180 -46.8 -53.22 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 80.7 p -42.41 -51.52 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -59.57 -43.35 93.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 75.9 p -96.08 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 400' ' ' GLU . . . -178.03 -34.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 399' ' ' GLY . 8.4 pt-20 32.86 45.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.392 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 414' ' ' PHE . 14.4 mptt -51.15 127.08 28.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.8 -27.7 25.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.482 ' CE1' ' HB2' ' A' ' 417' ' ' SER . 58.2 m-85 -96.51 130.02 43.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.71 154.33 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 37.1 t -82.75 111.45 18.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 3.9 m -82.84 45.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . 0.541 ' CZ2' ' HB3' ' A' ' 427' ' ' HIS . 46.5 t-105 -106.93 158.54 16.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.84 126.87 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 75.6 -51.89 2.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.66 114.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -117.24 32.12 6.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . 0.421 ' C ' ' HG3' ' A' ' 413' ' ' ARG . 51.9 m95 -81.11 161.74 23.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.421 ' HG3' ' C ' ' A' ' 412' ' ' TRP . 29.0 mtt180 -144.96 157.49 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.411 ' C ' ' HG2' ' A' ' 401' ' ' LYS . 67.5 m-85 -138.78 154.7 48.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.67 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -96.09 142.25 28.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.482 ' HB2' ' CE1' ' A' ' 403' ' ' TYR . 31.1 t -64.73 -54.01 38.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.56 -44.1 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.2 tp -67.65 -53.55 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 93.0 m -42.0 -48.44 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.45 -49.23 77.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -57.14 -51.36 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -46.14 -45.21 16.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -48.33 -50.37 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -38.94 -48.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . 0.541 ' HB3' ' CZ2' ' A' ' 407' ' ' TRP . 70.1 m-70 -53.16 -44.86 68.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 73.1 p -90.31 30.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -84.04 -86.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -156.96 153.85 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.465 ' HD3' ' NE2' ' A' ' 434' ' ' GLN . 81.2 mttt -140.05 106.26 6.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.403 ' HB2' ' CE2' ' A' ' 433' ' ' PHE . 53.7 Cg_endo -69.79 -24.11 29.9 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.403 ' CE2' ' HB2' ' A' ' 432' ' ' PRO . 31.1 m-85 -153.19 122.68 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 431' ' ' LYS . 2.1 tp-100 -124.98 135.1 52.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.45 178.46 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.62 -62.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 90.2 t -54.27 -57.63 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 14.8 p -88.48 -27.43 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.89 52.87 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 441' ' ' SER . 9.1 ttm180 -107.59 149.51 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . 0.479 ' N ' ' HG3' ' A' ' 440' ' ' ARG . 30.9 p -93.18 142.93 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -126.11 164.33 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 13.1 t -86.49 -54.17 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.428 ' HB2' ' ND1' ' A' ' 447' ' ' HIS . 19.2 mtp85 -106.19 164.4 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 94.0 p -78.15 -49.73 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -42.87 -44.73 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . 0.428 ' ND1' ' HB2' ' A' ' 444' ' ' ARG . 30.9 m170 -59.27 -43.0 92.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.23 -48.37 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.22 57.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.31 -28.87 70.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -71.11 -29.29 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 8.7 mmt -67.74 -47.63 68.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -38.6 -41.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -48.94 65.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.452 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 7.6 m-70 -57.97 -51.98 67.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -71.78 139.7 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 14.2 m -158.77 173.44 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.82 176.27 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 178.34 151.99 9.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.84 145.78 3.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.38 . . . . 0.0 110.874 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 73.8 p -137.13 172.55 12.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -155.73 123.16 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.19 4.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -149.83 171.87 16.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 367' ' ' LEU . 4.6 pp -153.2 172.12 17.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -160.99 149.54 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -116.78 133.42 56.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -79.88 121.21 25.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.68 167.16 15.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 62.0 mt -135.63 145.74 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -86.16 143.47 27.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 375' ' ' CYS . 25.8 m-85 -115.07 110.91 20.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 374' ' ' TYR . 44.5 t -32.71 126.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -83.68 34.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.607 ' CD1' ' CG ' ' A' ' 397' ' ' HIS . 4.7 t80 -112.73 137.5 21.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.3 Cg_endo -69.86 127.32 14.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 93.55 -49.26 2.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 12.1 t -68.32 137.26 54.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 62.9 p -116.63 41.8 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 393' ' ' HIS . 42.1 mmtt -82.56 142.51 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 374' ' ' TYR . 32.5 m -140.23 157.45 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -150.42 112.14 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 28.5 m -37.19 -48.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -98.63 157.39 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 87.9 p -75.44 -49.68 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 30.0 m -41.27 -45.27 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.84 -44.44 93.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.57 -52.9 58.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -41.82 -47.73 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -52.79 -37.02 59.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 382' ' ' LYS . 76.7 t60 -67.07 -55.93 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 397' ' ' HIS . 85.9 mt -42.86 -42.36 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 394' ' ' LEU . 48.3 mtt180 -37.37 -38.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 70.5 p -81.51 -35.61 30.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.607 ' CG ' ' CD1' ' A' ' 377' ' ' TYR . 18.4 m-70 -75.25 5.32 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 153.19 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -51.88 -103.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 401' ' ' LYS . 0.5 OUTLIER -129.93 -45.25 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 414' ' ' PHE . 30.1 mtmm -65.94 111.6 6.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.264 . . . . 0.0 112.324 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.469 ' HB3' HD22 ' A' ' 420' ' ' LEU . 39.9 m-85 -73.34 119.91 18.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 405' ' ' CYS . 0.0 OUTLIER -128.74 165.24 21.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 404' ' ' LYS . 53.5 t -90.71 108.45 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 7.3 p -80.83 43.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -107.75 151.91 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.05 125.99 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 82.29 -53.87 4.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.7 131.86 52.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -134.64 33.55 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -85.58 135.29 33.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -114.88 169.04 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.48 ' N ' ' HD2' ' A' ' 401' ' ' LYS . 76.4 m-85 -146.08 145.8 30.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.25 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -91.5 155.16 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 9.3 t -72.66 -51.13 20.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -49.66 -49.12 48.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -45.53 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 403' ' ' TYR . 21.0 tp -51.63 -56.05 15.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 72.1 m -45.2 -50.85 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -60.89 -43.23 98.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -60.5 -50.84 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.0 -44.32 60.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -47.83 -48.36 30.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -43.83 -45.31 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.17 -39.78 94.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 65.2 p -83.85 31.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 74.98 177.53 39.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -119.19 162.76 18.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 431' ' ' LYS . 7.5 mptt -125.15 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.522 0.677 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -1.99 9.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 445' ' ' SER . 76.4 m-85 -120.52 90.39 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -114.92 124.13 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.15 174.24 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -105.17 -62.4 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.476 ' HB ' ' CE1' ' A' ' 455' ' ' HIS . 99.8 t -53.88 -64.29 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.88 -27.71 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.01 39.99 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -98.52 178.76 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 13.8 m -122.04 146.09 47.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -129.36 172.28 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 97.4 p -106.67 -46.23 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -99.86 147.34 25.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 433' ' ' PHE . 49.3 p -62.54 -57.27 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -43.57 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -53.4 -44.53 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 50.8 tp -69.72 -61.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -46.38 -49.67 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.26 -44.81 82.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.47 -45.42 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 25.1 mmm -42.14 -45.19 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -52.75 -45.1 66.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -46.1 -52.29 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 437' ' ' VAL . 18.3 m-70 -45.17 -43.17 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -74.01 84.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 25.8 p -161.49 129.44 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -60.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 167.35 -150.4 16.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 35.5 p -169.11 176.75 5.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 20.3 m -142.84 175.1 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -105.26 130.28 10.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -176.11 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -111.93 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 367' ' ' LEU . 0.5 OUTLIER -127.81 177.06 7.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -157.37 169.73 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -145.64 173.25 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -126.06 133.21 51.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 8.4 mmt-85 -139.22 175.3 9.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 50.4 mm -115.27 141.08 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 387' ' ' SER . 70.9 m-70 -102.42 115.1 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.425 ' HA ' HG12 ' A' ' 383' ' ' VAL . 2.4 m-85 -96.12 117.45 30.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 374' ' ' TYR . 51.0 t -36.38 123.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.78 40.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.417 ' CD2' ' CE1' ' A' ' 397' ' ' HIS . 11.7 t80 -119.73 131.41 24.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.651 0.738 . . . . 0.0 110.928 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 115.08 3.92 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.308 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 109.71 -48.5 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 9.4 t -65.13 136.71 57.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 63.2 p -114.81 42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -100.63 135.79 41.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 374' ' ' TYR . 16.1 m -136.83 151.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -137.13 130.42 31.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 30.6 m -55.75 -47.35 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HE2' ' CE1' ' A' ' 389' ' ' HIS . 2.3 mppt? -97.06 143.53 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 373' ' ' HIS . 24.3 t -66.29 -44.72 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.9 t -46.14 -46.1 16.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HE2' ' A' ' 386' ' ' LYS . 20.6 m170 -63.51 -49.91 71.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 23.3 tp -43.13 -57.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -40.59 -50.91 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -49.38 -45.15 45.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -64.3 -56.22 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 395' ' ' ARG . 19.1 mt -38.84 -46.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 394' ' ' LEU . 51.8 mtt180 -38.0 -54.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 59.8 p -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.417 ' CE1' ' CD2' ' A' ' 377' ' ' TYR . 12.0 m-70 -54.83 -45.55 74.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 34.3 m -123.56 90.51 3.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -97.86 42.24 2.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -104.21 43.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.957 0.408 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -129.43 72.78 81.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.97 22.98 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.647 2.231 . . . . 0.0 112.315 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 417' ' ' SER . 80.4 m-85 -84.7 126.17 33.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 14.5 pttp -129.29 155.75 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.27 113.71 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 406' ' ' THR . 8.7 t -79.69 43.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -107.43 154.18 21.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.43 107.81 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 108.94 -46.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 27.3 t -69.87 129.93 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -127.8 35.74 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -92.54 132.5 36.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 87.8 mtt180 -116.21 160.1 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -132.37 140.33 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.36 85.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -104.56 149.41 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 403' ' ' TYR . 60.3 p -60.97 -57.69 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -41.19 -49.72 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -47.1 -54.24 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.16 -43.65 74.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 31.1 m -52.34 -43.84 64.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -63.06 -43.23 99.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -66.2 -43.64 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -54.42 -44.12 72.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -44.88 -43.45 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -56.21 -48.29 76.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -50.32 -46.84 55.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 67.5 p -90.4 30.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -169.07 -102.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -46.43 151.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -50.16 148.12 6.47 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -13.36 34.49 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -105.51 92.08 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -131.05 111.79 12.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 5.3 t -57.41 171.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -107.75 -54.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.8 -61.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.361 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 10.6 p -82.15 -27.74 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 63.89 53.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -95.66 -176.96 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 18.9 p -132.22 146.06 51.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -151.78 155.41 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.3 t -118.95 39.49 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -163.65 112.87 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . . . . . . . . . 74.6 m -46.34 -54.73 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -52.49 -43.97 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -58.0 -50.55 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.62 -56.13 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -41.27 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.53 -44.2 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . 0.466 ' C ' ' CD2' ' A' ' 451' ' ' HIS . 2.3 t60 -55.5 -48.93 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 453' ' ' LYS . 92.3 mmm -48.46 -43.21 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 452' ' ' MET . 9.4 mmpt? -34.64 -39.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 454' ' ' ARG . 0.3 OUTLIER -53.13 -51.83 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -78.47 -54.99 5.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -41.33 110.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 8.3 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 2.1 t -167.89 137.26 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.911 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 2.6 t -162.97 171.61 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 173.03 153.03 9.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 5.6 m -158.21 154.54 27.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 4.1 t -157.48 152.6 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -173.02 64.79 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 120.85 7.56 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -141.84 108.48 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 4.2 pp -125.25 143.72 50.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -157.18 125.18 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.39 162.16 35.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -126.4 102.35 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -84.83 94.02 8.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 61.9 mt -133.12 130.13 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.578 ' CB ' HD22 ' A' ' 390' ' ' LEU . 62.6 m-70 -101.12 122.8 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . 0.47 ' HA ' HG12 ' A' ' 383' ' ' VAL . 4.3 m-85 -93.97 113.81 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 374' ' ' TYR . 6.3 t -34.7 134.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -93.4 38.02 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.4 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 6.7 t80 -117.98 136.27 23.74 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.78 122.59 9.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 96.18 -39.36 2.84 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 27.3 t -59.36 147.89 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 41.4 p -130.6 29.61 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -97.9 141.13 31.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 374' ' ' TYR . 19.5 m -150.39 158.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -144.7 141.25 29.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 31.9 m -55.95 -55.58 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 389' ' ' HIS . 14.4 mtpp -84.26 158.89 21.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 62.8 p -79.59 -52.61 7.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.8 m -39.52 -46.78 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 386' ' ' LYS . 35.3 m170 -62.48 -47.34 84.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.578 HD22 ' CB ' ' A' ' 373' ' ' HIS . 64.0 tp -52.4 -42.9 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -52.11 -46.54 65.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.69 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 394' ' ' LEU . 22.9 t60 -67.94 -58.43 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 393' ' ' HIS . 10.5 mt -37.53 -41.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 398' ' ' THR . 66.6 mtt-85 -39.15 -47.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 77.0 p -43.49 -57.4 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -57.3 -38.19 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 395' ' ' ARG . 86.8 m -134.95 99.3 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 177.78 119.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.88 110.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.43 ' CA ' ' O ' ' A' ' 414' ' ' PHE . 59.0 mttt -121.67 74.15 33.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.71 16.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -81.99 87.93 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -94.95 125.96 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HA ' HD11 ' A' ' 420' ' ' LEU . 52.1 t -43.64 131.27 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 1.8 m -79.64 40.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -108.46 158.22 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -81.09 112.35 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.4 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 19.8 t -38.43 135.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.79 26.35 9.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -92.66 148.88 21.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -135.18 171.39 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 401' ' ' LYS . 96.5 m-85 -155.11 179.58 9.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -113.48 -30.12 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . 0.43 ' NH2' ' OE2' ' A' ' 419' ' ' GLU . 15.3 mtm105 -116.43 176.2 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 418' ' ' ASP . 12.9 m -78.38 -66.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 417' ' ' SER . 73.0 m-20 -36.47 -50.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.43 ' OE2' ' NH2' ' A' ' 416' ' ' ARG . 81.2 mm-40 -47.72 -51.65 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 405' ' ' CYS . 53.5 tp -73.99 -57.17 4.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 74.4 m -38.01 -51.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -57.13 -44.7 83.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -65.2 -41.06 94.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -52.8 -34.29 52.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -57.02 -53.37 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -41.38 -53.92 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -46.81 -48.61 20.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 69.8 p -74.64 -27.35 60.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -64.1 132.49 39.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -73.65 81.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 156.04 85.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.568 0.699 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -1.79 9.09 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -136.89 115.04 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -132.42 127.2 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.7 178.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -111.48 -57.94 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.03 -54.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.73 -26.55 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 62.77 49.95 3.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -99.61 154.0 18.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 68.1 p -95.71 147.01 24.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -132.76 169.18 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 4.1 t -96.04 -51.42 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -103.54 166.52 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 448' ' ' LEU . 44.5 t -76.19 -61.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.45 -41.31 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -55.02 -42.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 445' ' ' SER . 20.3 tp -58.33 -43.09 88.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -66.43 -59.23 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.91 -28.15 3.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 454' ' ' ARG . 3.4 t60 -85.05 -46.15 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 57.5 mmm -43.09 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -27.7 41.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 451' ' ' HIS . 4.1 ttm180 -58.63 -24.78 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -68.09 -62.0 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . 0.476 ' CD ' ' C ' ' A' ' 456' ' ' GLN . 1.9 pp0? -71.76 132.76 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 1.8 t -171.84 174.02 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 1.8 m -169.77 175.27 5.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . -168.68 -177.92 39.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 83.2 p -172.5 165.12 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 2.8 m -165.44 165.58 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . -169.89 86.18 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.78 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -147.97 159.43 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.92 121.15 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -140.07 127.65 21.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -144.0 176.27 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -156.96 122.83 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.85 146.06 40.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . . . . . . . . . 71.1 mt -112.94 137.02 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.568 ' HB3' HD22 ' A' ' 390' ' ' LEU . 19.0 m-70 -76.15 131.28 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -105.28 125.45 51.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . 0.423 ' SG ' ' CB ' ' A' ' 377' ' ' TYR . 3.7 t -71.83 118.77 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -83.15 41.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . 0.485 ' CG ' ' HD2' ' A' ' 378' ' ' PRO . 11.8 t80 -119.04 138.61 26.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.914 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 377' ' ' TYR . 53.7 Cg_endo -69.83 163.38 38.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 51.43 15.74 2.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.63 120.99 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 3.9 t -119.16 37.33 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -92.0 138.34 31.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.93 165.28 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -155.9 150.84 26.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 385' ' ' THR . 16.5 m -90.75 22.49 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.35 148.16 52.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . . . . . . . . . 5.3 t -80.62 -52.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 t -52.51 -46.79 66.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -55.33 -57.4 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 373' ' ' HIS . 52.1 tp -38.66 -59.79 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -49.06 -47.03 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.18 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -62.65 -52.07 64.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 26.4 mt -44.55 -38.66 4.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -44.05 -53.26 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 81.5 p -40.9 -40.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 -63.31 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . . . . . . . . . 26.9 m -77.19 138.22 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . -125.54 67.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -115.83 83.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -126.94 92.3 44.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.7 Cg_endo -69.73 -23.1 31.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.333 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 87.3 m-85 -92.06 120.57 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . 0.441 ' CB ' ' HG2' ' A' ' 413' ' ' ARG . 8.6 ptpp? -132.51 153.9 50.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.45 118.79 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . 0.577 ' O ' HG22 ' A' ' 406' ' ' THR . 24.7 m -82.64 44.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -107.84 160.25 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -76.66 124.49 27.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 90.5 -46.6 3.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 41.9 t -56.63 131.07 47.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -128.27 30.62 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -92.76 147.29 22.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 404' ' ' LYS . 52.7 mtp180 -132.22 176.33 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -150.57 168.94 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -87.01 -45.59 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -105.09 168.61 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 46.9 t -73.98 -46.05 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -49.54 -60.5 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -38.68 -48.55 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -56.24 9.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 23.8 m -37.9 -46.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -63.94 -45.92 87.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -61.72 -44.15 97.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -54.68 -52.3 62.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -41.33 -49.33 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -47.09 -49.65 21.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -53.03 -49.44 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 81.1 p -73.0 -19.81 61.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -76.79 125.76 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -53.03 158.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -143.54 159.33 54.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.561 0.696 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -14.04 35.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 445' ' ' SER . 44.1 m-85 -136.15 120.12 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -134.8 130.12 35.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.52 172.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -102.35 -38.32 3.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 97.7 t -84.97 -73.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 19.3 p -74.32 -8.3 55.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 438' ' ' CYS . 5.4 p30 47.26 55.0 8.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.486 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 2.4 ttt85 -81.9 -172.91 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 4.1 p -132.97 131.83 41.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.99 165.75 19.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.3 p -98.35 -13.22 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -137.47 174.49 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 433' ' ' PHE . 29.3 t -87.58 -62.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.09 -45.11 2.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -54.56 -41.59 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.34 -46.63 79.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -55.16 -45.17 75.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.49 -28.94 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -76.19 -39.8 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . . . . . . . . . 4.0 mmt -45.27 -43.03 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -52.12 -42.71 63.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -46.01 -52.97 10.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -58.67 -73.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 157.72 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' SER . . . . . . . . . . . . . 23.7 p -174.87 176.12 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' SER . . . . . . . . . . . . . 51.9 p -172.82 171.4 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' GLY . . . . . . . . . . . . . . . 169.45 163.86 24.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' SER . . . . . . . . . . . . . 2.3 m -168.27 163.93 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' SER . . . . . . . . . . . . . 1.2 t -175.14 177.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . 174.54 124.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -174.62 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -158.57 163.56 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 367' ' ' LEU . 1.1 pt? -163.55 164.66 24.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -156.19 157.15 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -127.31 150.32 49.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -132.23 99.44 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -129.35 107.44 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 373' ' ' HIS . 37.8 mm -125.58 156.21 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 372' ' ' ILE . 81.0 m-70 -130.51 93.62 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -79.09 142.56 36.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' CYS . . . . . . . . . . . . . 53.7 t -70.58 119.56 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -82.44 40.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -116.79 134.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.679 0.752 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 134.12 27.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.385 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . 89.55 -46.68 3.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.42 132.66 47.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' THR . . . . . . . . . . . . . 76.8 p -117.37 44.43 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -108.12 127.92 54.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.8 150.0 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -127.96 156.11 43.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' THR . . . . . . . . . . . . . 33.1 m -80.84 -43.45 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -98.08 164.64 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 390' ' ' LEU . 99.0 p -84.78 -51.32 6.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 6.6 t -39.38 -50.98 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -58.84 -39.07 80.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 373' ' ' HIS . 34.9 tp -54.18 -57.01 12.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 390' ' ' LEU . 23.3 ttmt -35.13 -55.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ALA . . . . . . . . . . . . . . . -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -51.34 -32.18 24.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.16 -35.91 48.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -68.44 -32.71 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 69.3 p -71.96 -28.5 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.129 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 398' ' ' THR . 5.3 m-70 -57.13 -48.04 79.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 397' ' ' HIS . 29.7 p -34.26 142.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 47.93 88.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -127.7 -30.15 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 402' ' ' PRO . 2.0 mppt? -116.22 96.95 48.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.707 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 403' ' ' TYR . 53.9 Cg_endo -69.76 -34.12 15.23 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 402' ' ' PRO . 31.4 m-85 -82.2 121.05 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 154.71 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.44 109.69 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' THR . . . . . . . . . . . . . 42.6 p -82.92 44.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -107.9 158.41 17.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -65.85 125.35 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 80.54 -51.65 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' CYS . . . . . . . . . . . . . 1.9 t -55.99 132.34 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -132.62 33.56 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -74.7 169.94 16.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -152.19 159.95 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -152.28 129.97 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.1 82.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 416' ' ' ARG . 12.7 mtp-105 -103.63 133.32 48.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.6 t -53.59 -49.65 67.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -46.21 -48.53 17.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -50.14 -54.37 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 423' ' ' HIS . 36.8 tp -55.78 -60.06 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 420' ' ' LEU . 74.0 m -36.84 -47.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -62.83 -42.77 99.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 420' ' ' LEU . 15.8 t60 -65.96 -43.84 86.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -61.33 -43.88 98.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -47.71 -37.62 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.52 -45.01 85.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -51.86 -50.98 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . . . . . . . . . 79.9 p -75.81 -27.41 57.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -68.83 -86.44 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.19 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.38 138.71 32.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.62 14.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 445' ' ' SER . 62.4 m-85 -123.51 144.67 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 435' ' ' CYS . 15.2 tt0 -139.61 122.04 16.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 434' ' ' GLN . 1.8 t -49.86 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . -110.41 -55.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 439' ' ' ASN . 72.2 t -68.71 -75.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.889 0.376 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 440' ' ' ARG . 17.2 p -70.79 -30.86 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 437' ' ' VAL . 4.9 m120 71.91 51.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 438' ' ' CYS . 3.2 ttt85 -78.89 -174.36 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' SER . . . . . . . . . . . . . 40.2 p -126.57 144.46 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -145.87 161.92 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 43.7 t -89.07 -46.07 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -108.24 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 433' ' ' PHE . 25.3 t -82.58 -55.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.813 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -43.88 -44.62 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -53.99 -41.12 67.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.09 -56.52 18.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.21 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.62 -32.42 72.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -70.77 -40.19 72.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 453' ' ' LYS . 3.6 mmt -41.22 -47.24 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 452' ' ' MET . 7.3 mtmp? -35.77 -46.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -56.51 -52.52 64.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -56.76 -49.52 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -55.35 93.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_